Month: October 2022

Nitriles used to be known as cyanides; the smallest organic nitrile is ethanenitrile, CH3CN, (old name: methyl cyanide or acetonitrile – and sometimes now called ethanonitrile). 20099-89-2, formula is C9H6BrNO, Name is 4-(2-Bromoacetyl)benzonitrile. Nitriles are found in many useful compounds, including methyl cyanoacrylate, used in super glue, and nitrile rubber, a nitrile-containing polymer used in latex-free laboratory and medical gloves. Electric Literature of 20099-89-2.

Zeytun, Ebru;Altintop, Mehlika D.;Sever, Belgin;Ozdemir, Ahmet;Ellakwa, Doha E.;Ocak, Zeynep;Ciftci, Halil I.;Otsuka, Masami;Fujita, Mikako;Radwan, Mohamed O. research published 《 A New Series of Antileukemic Agents: Design, Synthesis, In Vitro and In Silico Evaluation of Thiazole-Based ABL1 Kinase Inhibitors》, the research content is summarized as follows. After the approval of imatinib, more than 25 antitumor agents targeting kinases have been approved, and several promising candidates are at various stages of clin. evaluation. Due to the importance of the thiazole scaffold in targeted anticancer drug discovery, the goal of this work is to identify new thiazolyl hydrazones as potent ABL1 kinase inhibitors for the management of Chronic Myeloid Leukemia (CML). New thiazolyl hydrazones (2a-p) were synthesized and investigated for their cytotoxic effects on the K562 CML cell line. Compounds 2h, 2j and 2l showed potent anticancer activity against K562 cell line. The cytotoxic effects of these compounds on other leukemia (HL-60, MT-2 and Jurkat) and HeLa human cervical carcinoma cell lines were also investigated. Furthermore, their cytotoxic effects on Mitogen-Activated Peripheral Blood Mononuclear Cells (MA-PBMCs) were evaluated to determine their selectivity. Due to its selective and potent anticancer activity, compound 2j was benchmarked for its apoptosis-inducing potential on K562 cell line and inhibitory effects on eight different Tyrosine Kinases (TKs), including ABL1 kinase. In order to investigate the binding mode of compound 2j into the ATP binding site of ABL1 kinase (PDB: 1IEP), a mol. docking study was conducted using MOE 2018.01 program. The QikProp module of Schrodinger′s Mol. modeling package was used to predict the pharmacokinetic properties of compounds 2a-p. 4-(4-(Methylsulfonyl)phenyl)-2-[2-((1,3-benzodioxol-4-yl)methylene)hydrazinyl]thiazole (2j) showed antiproliferative activity against K562 cell line with an IC₅₀ value of 8.87±1.93 μM similar to imatinib (IC₅₀ = 6.84±1.11μM). Compound 2j was found to be more effective than imatinib on HL-60, Jurkat and MT-2 cells. Compound 2j also showed cytotoxic activity against HeLa cell line similar to imatinib. The higher selectivity index value of compound 2j than imatinib indicated that its antiproliferative activity was selective. Compound 2j also induced apoptosis in K562 cell line more than imatinib. Among eight TKs, compound 2j showed the strongest inhibitory activity against ABL1 kinase enzyme (IC₅₀= 5.37±1.17μM). According to mol. docking studies, compound 2j exhibited high affinity to the ATP binding site of ABL1 kinase, forming significant intermol. interactions. On the basis of in silico studies, this compound did not violate Lipinski′s rule of five and Jorgensen′s rule of three. Compound 2j stands out as a potential orally bioavailable ABL1 kinase inhibitor for the treatment of CML.

20099-89-2, 4-(2-Bromoacetyl)benzonitrile, also known as 2-Bromo-4′ -cyanoacetophenone, is a useful research compound. Its molecular formula is C9H6BrNO and its molecular weight is 224.05 g/mol. The purity is usually 95%.
2-Bromo-4′ -cyanoacetophenone can be synthesized from ethylbenzene via aerobic photooxidation using aqueous HBr.
4-(2-Bromoacetyl)benzonitrile is useful for the irreversible inhibitory activity of Glycogen synthase kinase 3 (GSK-3). Phenylhalomethylketones can be used in the study of novel GSK-3 inhibitors., Electric Literature of 20099-89-2

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Nitrile is any organic compound with a −C≡N functional group. 31643-49-9, formula is C8H3N3O2, Name is 4-Nitrophthalonitrile.The prefix cyano- is used interchangeably with the term nitrile in literature. Related Products of 31643-49-9.

Zengin, Nursefa;Goksu, Haydar;Sen, Fatih research published 《 Chemoselective hydrogenation of aromatic nitro compounds in the presence of homogeneous Pd based catalysts》, the research content is summarized as follows. The chemoselective reduction of aromatic nitro compounds to amine derivatives was easily performed with remarkable yields under ultrasonic conditions in a H₂O/MeOH mixture (volume/volume = 1/4). In this process, com. available BINAP. PdCl₂ and NaBH₄ were used as homogenous catalysts and the hydrogen source, resp. The developed method has a high economic value and can be adapted to the industry. A variety of nitroarene derivatives were reacted by undergoing the BINAP. PdCl₂ catalyzed reduction reaction. All nitroarenes were selectively hydrogenated to aromatic primary amines with quant. yields in 15 min. The obtained primary amines were determined by ¹H and ¹³C NMR spectroscopy.

Related Products of 31643-49-9, 4-Nitrophthalonitrile, also known as 4-Nitrophthalonitrile, is a useful research compound. Its molecular formula is C8H3N3O2 and its molecular weight is 173.13 g/mol. The purity is usually > 95%.
4-Nitrophthalonitrile is a chemical substance that can be synthesized by the reaction of sodium carbonate with 3,4,5-trimethoxybenzyl alcohol. It can also be prepared using nitro phenol and sodium hydroxide. 4-Nitrophthalonitrile has been shown to have high photochemical activity in the presence of light. The frequency shift of its infrared spectrum is indicative of a nucleophilic addition reaction mechanism. 4-Nitrophthalonitrile has been used as an intermediate for producing other chemicals, such as herbicides and pharmaceuticals., 31643-49-9.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Industrially, the main methods for producing nitriles are ammoxidation and hydrocyanation. 3032-92-6, formula is C9H5N, Name is 4-Ethynylbenzonitrile. Both routes are green in the sense that they do not generate stoichiometric amounts of salts. Electric Literature of 3032-92-6.

Zeng, Meng-Qiang;Feng, Ke-Xin;Hu, Bo-Lun;Tu, Hai-Yong;Zhang, Xing-Guo research published 《 Ni-Catalyzed Reductive Arylalkenylation of Alkynes for the Selective Synthesis of Polysubstituted Naphthalenes》, the research content is summarized as follows. A Ni-catalyzed reductive arylalkenylation of alkynes with 1-bromo-2-(2-chlorovinyl)arenes in the presence of zinc powder has been developed. This base-free cyclization provides a novel protocol for the selective synthesis of 2-trifluoromethyl naphthalenes and Et 2-naphthoates from simple starting materials in moderate to good yields with excellent tolerance of functional groups.

Electric Literature of 3032-92-6, 4-Ethynylbenzonitrile is a simple benzyl alkyne compound potentially useful as a synthetic fragment and as a test compound for cross-coupling protocols. 4-Ethynylbenzonitrile has been described as a model compound for studying hydrogen bond formation in multifunctional molecules, as it contains four hydrogen bonding sites of which three are π-acceptors.

4-Ethynylbenzonitrile is a useful research compound. Its molecular formula is C9H5N and its molecular weight is 127.14 g/mol. The purity is usually 95%., 3032-92-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Nitrile is any organic compound with a −C≡N functional group. 3032-92-6, formula is C9H5N, Name is 4-Ethynylbenzonitrile.The prefix cyano- is used interchangeably with the term nitrile in literature. Electric Literature of 3032-92-6.

Zeng, Jiajun;Li, Jianying;Huang, Bin;Li, Jiajia;Cai, Mingzhong research published 《 A practical access to 1,2-dicarbonyls via oxidation of alkynes catalyzed by gold(I) immobilized on MCM-41》, the research content is summarized as follows. The heterogeneous gold(I)-catalyzed oxidation of alkynes was achieved by using 2,3-dichloropyridine N-oxide as oxidant and MCM-41-anchored diphenylphosphine-gold(I) complex [MCM-41-Ph₂P-AuNTf₂] as the catalyst under mild and acid-free conditions, yielding diverse 1,2-dicarbonyls in good to excellent yields with easy recycling of the gold catalyst. The developed method is applicable to a wide variety of alkynes including internal or terminal alkynes, alkynyl ethers or thioethers and ynamides, and can tolerate a wide range of functional groups.

Electric Literature of 3032-92-6, 4-Ethynylbenzonitrile is a simple benzyl alkyne compound potentially useful as a synthetic fragment and as a test compound for cross-coupling protocols. 4-Ethynylbenzonitrile has been described as a model compound for studying hydrogen bond formation in multifunctional molecules, as it contains four hydrogen bonding sites of which three are π-acceptors.

4-Ethynylbenzonitrile is a useful research compound. Its molecular formula is C9H5N and its molecular weight is 127.14 g/mol. The purity is usually 95%., 3032-92-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Nitriles used to be known as cyanides; the smallest organic nitrile is ethanenitrile, CH3CN, (old name: methyl cyanide or acetonitrile – and sometimes now called ethanonitrile). 105-34-0, formula is C4H5NO2, Name is Methyl 2-cyanoacetate. Nitriles are found in many useful compounds, including methyl cyanoacrylate, used in super glue, and nitrile rubber, a nitrile-containing polymer used in latex-free laboratory and medical gloves. Product Details of C4H5NO2.

Zaydi, K. M. Al;Al-Johani, M. A.;Alqahtani, N. F.;Mousally, S. M.;Elnagdi, N. Hilmy research published 《 Reactions under Pressure: Synthesis of Functionally Substituted Arylhydrazonal Derivatives as Precursors of Novel Pyridazines and Nicotinates》, the research content is summarized as follows. Q-tube assisted multicomponent synthesis of novel arylhydrazonals I (R = Me; X = H, Me, NO₂, Cl), pyridazines II (R = Ph, 4-chlorophenyl; X = H, Me, NO₂; R¹ = C(O), CHC(O)OMe) and nicotinates III (R = Ph, 2-thienyl, 4-chlorophenyl; X = H, Me; R² = CN, C(O)Ph) has been explored. The target mols. II, III have been prepared via one pot reaction of arylhydrazonals I (R = Ph, 2-thienyl, 4-chlorophenyl; X = H, Me, NO₂) with activated methylene nitriles in either ethanolic piperidine, di-Me acetylene dicarboxylate (DMAD), 1,4-diazobicyclo[2.2.2]octane (DABCO), or Ph₃P under pressure. Such conditions make reaction time much shorter and yields higher as compared with those conducted under conventional conditions. The structures of products have been determined by X-ray crystallog. and spectroscopic methods.

Product Details of C4H5NO2, Methyl cyanoacetate is an alkyl cyanoacetate ester.
Methyl cyanoacetate is the intermediate product in pharmaceutical organic synthesis as well as in the synthesis of some biologically active compounds used in agriculture. It undergoes calcite or fluorite catalyzed Knövenagel condensation with aromatic aldehydes, giving the corresponding arylidenemalononitriles and (E)-α -cyanocinnamic esters.
Methyl Cyanoacetate is often used as a nucleophile in the electrochemical oxidation of catechols. Methyl Cyanoacetate is also a reagent in the synthesis of Methyl 2-Amino-4-trifluoromethylthiophene-3-carboxylate (M287290); a compound used in the synthesis of DPP-IV inhibitors for treating type 2 diabetes., 105-34-0.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Industrially, the main methods for producing nitriles are ammoxidation and hydrocyanation. 105-34-0, formula is C4H5NO2, Name is Methyl 2-cyanoacetate. Both routes are green in the sense that they do not generate stoichiometric amounts of salts. Quality Control of 105-34-0.

Zanin, Lucas Lima;Jimenez, David Esteban Quintero;de Jesus, Matheus Pereira;Diniz, Luan Farinelli;Ellena, Javier;Porto, Andre Luiz Meleiro research published 《 Synthesis and X-ray crystal structures of polyfunctionalized 4H-chromene derivatives via tricomponent reaction with Knoevenagel adducts as intermediates in aqueous medium》, the research content is summarized as follows. The synthetic methodologies to obtain 4H-chromene derivs was described. Two routes were investigated, the first being a bicomponent reaction using Knoevenagel adducts as reagents and the second using one-pot tricomponent reactions, both under microwave irradiation, using H₂O as solvent and triethylamine as catalyst. Twenty 4H-chromene derivatives were synthesized with 50-95% yields from aromatic aldehydes, 5,5-dimethyl-1,3-cyclohexadione and malononitrile or Me cyanoacetate, being further characterized by Fourier Transform IR and NMR. The three crystal structures from the synthesized chromene derivatives, by single-crystal X-ray diffraction, showed the main supramol. features of each structure – a poorly unexplored approach involved this class of compounds so far was reported.

105-34-0, Methyl cyanoacetate is an alkyl cyanoacetate ester.
Methyl cyanoacetate is the intermediate product in pharmaceutical organic synthesis as well as in the synthesis of some biologically active compounds used in agriculture. It undergoes calcite or fluorite catalyzed Knövenagel condensation with aromatic aldehydes, giving the corresponding arylidenemalononitriles and (E)-α -cyanocinnamic esters.
Methyl Cyanoacetate is often used as a nucleophile in the electrochemical oxidation of catechols. Methyl Cyanoacetate is also a reagent in the synthesis of Methyl 2-Amino-4-trifluoromethylthiophene-3-carboxylate (M287290); a compound used in the synthesis of DPP-IV inhibitors for treating type 2 diabetes., Quality Control of 105-34-0

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Nitrile is any organic compound with a −C≡N functional group. 31643-49-9, formula is C8H3N3O2, Name is 4-Nitrophthalonitrile.The prefix cyano- is used interchangeably with the term nitrile in literature. Safety of 4-Nitrophthalonitrile.

Yuzeroglu, Murat;Keser Karaoglan, Gulnur;Gumrukcu Kose, Gulsah;Erdogmus, Ali research published 《 Synthesis of new zinc phthalocyanines including schiff base and halogen; photophysical, photochemical, and fluorescence quenching studies》, the research content is summarized as follows. This study reports a series of new sym. tetra substituted zinc phthalocyanines namely {2,9,16,23-Tetra-(4-[4-{[(1E)-(4-fluorophenyl)methylene]amino}phenoxy])-phthalocyaninato} zinc(II) (7), {2,9,16,23-Tetra-(4-[4-{[(1E)-(4-chlorophenyl)methylene]amino}phenoxy])-phthalocyaninato}zinc(II) (8), and {2,9,16,23-Tetra-(4-[4-{[(1E)-(4-bromophenyl)methylene] amino}phenoxy])- phthalocyaninato}zinc(II) (9). The resulting macromols. were characterized using some spectroscopic methods consisting of UV-Vis, FT-IR, ¹H NMR, and MALDI-TOF MS spectroscopy, together with elemental anal. The photophysicochem. features of the newly synthesized phthalocyanines includiing fluorescence, photodegradation, and singlet oxygen quantum yields were studied in different solvents such as DMF, DMSO, and THF to explore their potential as suitable photosesitizers. Solvent effect on the photophys. and photochem. parameters of the tetra-substituted phthalocyanines bearing the 4-{[(1E)-(4-fluorophenyl)methylene]amino}phenoxy, 4-{[(1E)-(4-chlorophenyl)methylene]amino}phenoxy, 4-{[(1E)-(4-bromophenyl)methylene]amino}phen-oxy groups were investigated, as well. In comparison to the known Schiff base containing phthalocyanines, the newly synthesized compounds exhibited higher singlet oxygen values. Singlet oxygen yields of the complexes (7–9) were obtained between 0.57 and 0.86. Due to the high singlet oxygen yields of compounds (7–9), they can be listed as photosensitizers in the implementation of photocatalytic applications such as photodynamic therapy (PDT) which is an efficient method for the treatment of cancer.

31643-49-9, 4-Nitrophthalonitrile, also known as 4-Nitrophthalonitrile, is a useful research compound. Its molecular formula is C8H3N3O2 and its molecular weight is 173.13 g/mol. The purity is usually > 95%.
4-Nitrophthalonitrile is a chemical substance that can be synthesized by the reaction of sodium carbonate with 3,4,5-trimethoxybenzyl alcohol. It can also be prepared using nitro phenol and sodium hydroxide. 4-Nitrophthalonitrile has been shown to have high photochemical activity in the presence of light. The frequency shift of its infrared spectrum is indicative of a nucleophilic addition reaction mechanism. 4-Nitrophthalonitrile has been used as an intermediate for producing other chemicals, such as herbicides and pharmaceuticals., Safety of 4-Nitrophthalonitrile

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Nitriles used to be known as cyanides; the smallest organic nitrile is ethanenitrile, CH3CN, (old name: methyl cyanide or acetonitrile – and sometimes now called ethanonitrile). 3032-92-6, formula is C9H5N, Name is 4-Ethynylbenzonitrile. Nitriles are found in many useful compounds, including methyl cyanoacrylate, used in super glue, and nitrile rubber, a nitrile-containing polymer used in latex-free laboratory and medical gloves. Formula: C9H5N.

Yusuf, Mohammad;Hira, Shamim Ahmed;Park, Kang Hyun research published 《 Light-Harvesting Novel Hierarchical Porous Cu₉S₅-MnWO₄ Hybrid Structures in Photocatalytic Oxidative Homocoupling of Alkynes and Amines》, the research content is summarized as follows. The discovery of light-harvesting materials for use in photocatalytic organic reactions has recently attracted attention, indicating the potential for utilizing renewable energy sources. A hybrid semiconductor (SC)-SC structure, Cu₉S₅-MnWO₄, was synthesized using a simple, efficient method. The novel hierarchical porous Cu₉S₅-MnWO₄ hybrid structures were then applied in the photocatalysis of oxidative homocoupling of alkynes and amines. The design of a heterogeneous catalyst based on a porous, SC-SC hybrid structure and low-cost Cu should generate interest in the fabrication and modification of photocatalysts for a wide range of applications.

Formula: C9H5N, 4-Ethynylbenzonitrile is a simple benzyl alkyne compound potentially useful as a synthetic fragment and as a test compound for cross-coupling protocols. 4-Ethynylbenzonitrile has been described as a model compound for studying hydrogen bond formation in multifunctional molecules, as it contains four hydrogen bonding sites of which three are π-acceptors.

4-Ethynylbenzonitrile is a useful research compound. Its molecular formula is C9H5N and its molecular weight is 127.14 g/mol. The purity is usually 95%., 3032-92-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Nitrile is any organic compound with a −C≡N functional group. 105-34-0, formula is C4H5NO2, Name is Methyl 2-cyanoacetate.The prefix cyano- is used interchangeably with the term nitrile in literature. Application of C4H5NO2.

Yuan, Pengtao;Jiang, Xi;Wang, Siyu;Shao, Xusheng;Yang, Qing;Qian, Xuhong research published 《 X-ray Structure and Molecular Docking Guided Discovery of Novel Chitinase Inhibitors with a Scaffold of Dipyridopyrimidine-3-carboxamide》, the research content is summarized as follows. Chitinases are the glycosyl hydrolase for catalyzing the degradation of chitin and play an indispensable role in bacterial pathogenesis, fungal cell wall remodeling, and insect molting. Thus, chitinases are attractive targets for therapeutic drugs and pesticides. Here, we present a strategy of developing a novel chemotype of chitinase inhibitors by the construction of planar heterocycles that can stack with conserved aromatic residues. The rational design, guided by crystallog. anal. and docking results, leads to a series of dipyridopyrimidine-3-carboxamide derivatives as chitinase inhibitors. Among them, compound 6t showed the most potent activity against bacterial chitinase SmChiB and insect chitinase OfChi-h, with a K_i value of 0.14 and 0.0056μM, resp. The strong stacking interaction of compound 6p with Trp99 and Trp220 found in the SmChiB-6p co-crystal structure verifies the feasibility of our design. Our results provide novel insights into developing potent chitinase inhibitors for pathogen and pest control.

105-34-0, Methyl cyanoacetate is an alkyl cyanoacetate ester.
Methyl cyanoacetate is the intermediate product in pharmaceutical organic synthesis as well as in the synthesis of some biologically active compounds used in agriculture. It undergoes calcite or fluorite catalyzed Knövenagel condensation with aromatic aldehydes, giving the corresponding arylidenemalononitriles and (E)-α -cyanocinnamic esters.
Methyl Cyanoacetate is often used as a nucleophile in the electrochemical oxidation of catechols. Methyl Cyanoacetate is also a reagent in the synthesis of Methyl 2-Amino-4-trifluoromethylthiophene-3-carboxylate (M287290); a compound used in the synthesis of DPP-IV inhibitors for treating type 2 diabetes., Application of C4H5NO2

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Nitriles used to be known as cyanides; the smallest organic nitrile is ethanenitrile, CH3CN, (old name: methyl cyanide or acetonitrile – and sometimes now called ethanonitrile). 20099-89-2, formula is C9H6BrNO, Name is 4-(2-Bromoacetyl)benzonitrile. Nitriles are found in many useful compounds, including methyl cyanoacrylate, used in super glue, and nitrile rubber, a nitrile-containing polymer used in latex-free laboratory and medical gloves. Safety of 4-(2-Bromoacetyl)benzonitrile.

Yoon, Seok Hyun;Kim, Sung June;Kim, Ikyon research published 《 One-Pot Four-Component Coupling Approach to Polyheterocycles: 6H-Furo[3,2-f]pyrrolo[1,2-d][1,4]diazepine》, the research content is summarized as follows. A novel polyheterocyclic chem. space, 6H-furo[3,2-f]pyrrolo[1,2-d][1,4]diazepine, was generated by a one-pot four-component coupling reaction where multiple bonds (three C-C, one C-O, and one C-N) were formed through a domino sequence. Two heterocyclic rings (furan and diazepine) were sequentially constructed from the monocyclic pyrrole derivative under environment-friendly reaction conditions to furnish the tricyclic fused scaffold.

20099-89-2, 4-(2-Bromoacetyl)benzonitrile, also known as 2-Bromo-4′ -cyanoacetophenone, is a useful research compound. Its molecular formula is C9H6BrNO and its molecular weight is 224.05 g/mol. The purity is usually 95%.
2-Bromo-4′ -cyanoacetophenone can be synthesized from ethylbenzene via aerobic photooxidation using aqueous HBr.
4-(2-Bromoacetyl)benzonitrile is useful for the irreversible inhibitory activity of Glycogen synthase kinase 3 (GSK-3). Phenylhalomethylketones can be used in the study of novel GSK-3 inhibitors., Safety of 4-(2-Bromoacetyl)benzonitrile

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts