Bayrak, Nilufer’s team published research in Chemico-Biological Interactions in 2021-08-25 | CAS: 1885-29-6

Chemico-Biological Interactions published new progress about Absorption. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks).

Bayrak, Nilufer published the artcileStructure based design, synthesis, and evaluation of anti-CML activity of the quinolinequinones as LY83583 analogs, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks), the main research area is quinolinequinone LY analog antichronic myelogenous leukemia activity; Aminoquinone; Apoptosis; Chronic myelogenous leukemia (CML); DNA-Cleavage; LY83583; Quinolinequinones; Structure-activity relationship (SAR).

Quinone-based small mols. are the promising structures for antiproliferative drug design and can induce apoptosis in cancer cells. Among them, one of the quinolinequinones, named as 6-anilino-5,8-quinolinequinone, LY83583 has the ability to inhibit the growth of cancer cells as an inhibitor of cyclase. The biol. potential of all synthesized compounds as the analogs of the identified lead mol. LY83583 that possessed the antiproliferative efficiency was determined The two series of the LY83583 analogs containing electron-withdrawing or electron-donating group(s) were synthesized and subsequently in vitro evaluated for their cytotoxic activity against K562, Jurkat, MT-2, and HeLa cell lines using MTT assay. All the LY83583 analogs showed antiproliferative activity with good IC50 values (less than pos. control imatinib). Four analogs from each series were also selected for the determination of selectivity against human peripheral blood mononuclear cells (PBMCs). The analog AQQ15 showed high potency towards all cancer cell lines with almost similar selectivity of imatinib. In order to get a better insight into cytotoxic effects of the analog AQQ15 in K562 cells, further apoptotic effects due to annexin V/ethidium homodimer III staining, ABL1 kinase inhibition, and DNA cleaving ability were examined The analog AQQ15 induced apoptotic cell death in K562 cells with 34.6% compared to imatinib (6.5%). This analog showed no considerable ABL1 kinase inhibitory activity but significant DNA cleavage activity indicating DNA fragmentation-induced apoptosis. Besides, mol. docking studies revealed that the analog AQQ15 established proper interactions with the deoxyribose sugar attached with the nucleobases adenine and guanidine resp., in the minor groove of the double helix of DNA. In silico predicted pharmacokinetic parameters of this analog were found to comply with the standard range making it an efficient anticancer drug candidate for further research.

Chemico-Biological Interactions published new progress about Absorption. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Szekely, Thomas’s team published research in Journal of Medicinal Chemistry in 61 | CAS: 115204-76-7

Journal of Medicinal Chemistry published new progress about 115204-76-7. 115204-76-7 belongs to nitriles-buliding-blocks, auxiliary class 5.6_Aromatics,Purines, name is 4-((2,6-Dichloro-9H-purin-9-yl)methyl)benzonitrile, and the molecular formula is C12H25Br, Application of 4-((2,6-Dichloro-9H-purin-9-yl)methyl)benzonitrile.

Szekely, Thomas published the artcileDesign, Synthesis, and Immunological Evaluation of a Multicomponent Construct Based on a Glycotripeptoid Core Comprising B and T Cell Epitopes and a Toll-like Receptor 7 Agonist That Elicits Potent Immune Responses, Application of 4-((2,6-Dichloro-9H-purin-9-yl)methyl)benzonitrile, the publication is Journal of Medicinal Chemistry (2018), 61(21), 9568-9582, database is CAplus and MEDLINE.

We present here for the first time the synthesis and immunol. evaluation of a fully synthetic three-component anticancer vaccine candidate, that consists of a β-glycotripeptoid core mimicking a cluster of Tn at the surface of tumor cells (B epitope) conjugated to the OVA 323-339 peptide (T-cell epitope) and a Toll-like receptor 7 (TLR7) agonist for potent adjuvanticity. The immunol. evaluation of this construct and of precursor components demonstrated the synergistic activity of the components within the conjugate to stimulate innate and adaptive immune cells (DCs, T-helper and B-cells). Surprisingly, immunization of mice with the tricomponent GalNAc-based construct elicited low level of anti-Tn IgG but instead elicited very high level of antibodies that recognize the TLR7 agonist. This finding could represent a potential vaccine therapeutic approach for the treatment of some autoimmune diseases such as lupus.

Journal of Medicinal Chemistry published new progress about 115204-76-7. 115204-76-7 belongs to nitriles-buliding-blocks, auxiliary class 5.6_Aromatics,Purines, name is 4-((2,6-Dichloro-9H-purin-9-yl)methyl)benzonitrile, and the molecular formula is C12H25Br, Application of 4-((2,6-Dichloro-9H-purin-9-yl)methyl)benzonitrile.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Zhong, Jun’s team published research in Catalysis Communications in 32 | CAS: 5153-73-1

Catalysis Communications published new progress about 5153-73-1. 5153-73-1 belongs to nitriles-buliding-blocks, auxiliary class Nitrile,Alkenyl,Nitro Compound,Benzene, name is (E)-4-(2-Nitrovinyl)benzonitrile, and the molecular formula is C20H28B2O4S2, Category: nitriles-buliding-blocks.

Zhong, Jun published the artcileA novel organocatalyst for direct asymmetric Michael additions of cyclohexanone to nitroolefins, Category: nitriles-buliding-blocks, the publication is Catalysis Communications (2013), 18-22, database is CAplus.

A novel catalyst combining pyrrolidinyl and cyclohexanediamine was designed and synthesized. Only 5 mol% of catalyst loading was required for enantioselective Michael additions of cyclohexanone and nitroolefins affording desired γ-nitroketones with > 99% yield, up to 91% ee and up to > 99/1 dr under mild conditions. The enantioselectivity of the product could be further improved to > 99% ee after a single recrystallization in petroleum ether/ethyl acetate.

Catalysis Communications published new progress about 5153-73-1. 5153-73-1 belongs to nitriles-buliding-blocks, auxiliary class Nitrile,Alkenyl,Nitro Compound,Benzene, name is (E)-4-(2-Nitrovinyl)benzonitrile, and the molecular formula is C20H28B2O4S2, Category: nitriles-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Islam, Sk Manirul’s team published research in Applied Organometallic Chemistry in 2014 | CAS: 5653-62-3

Applied Organometallic Chemistry published new progress about Amidation. 5653-62-3 belongs to class nitriles-buliding-blocks, name is 2,3-Dimethoxybenzonitrile, and the molecular formula is C9H9NO2, Formula: C9H9NO2.

Islam, Sk Manirul published the artcilePolymer-anchored Ru(II) complex as an efficient catalyst for the synthesis of primary amides from nitriles and of secondary amides from alcohols and amines, Formula: C9H9NO2, the main research area is nitrile polymer anchored ruthenium complex hydration catalyst; primary amide preparation green chem; alc amine polymer anchored ruthenium complex oxidative coupling catalyst; secondary amide preparation green chem; polymer anchored ruthenium complex preparation hydration oxidative amidation catalyst.

A polymer-anchored ruthenium(II) catalyst was synthesized and characterized. Its catalytic activity was evaluated for the preparation of primary amides from aqueous hydration of nitriles in neutral condition. A range of nitriles were successfully converted to their corresponding amides in good to excellent yields. The catalyst was also effective in the preparation of secondary amides from the coupling of alcs. and amines. The catalyst can be facilely recovered and reused six times without a significant decrease in its activity.

Applied Organometallic Chemistry published new progress about Amidation. 5653-62-3 belongs to class nitriles-buliding-blocks, name is 2,3-Dimethoxybenzonitrile, and the molecular formula is C9H9NO2, Formula: C9H9NO2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Zhang, Xuepeng’s team published research in Nature Communications in 2019-12-31 | CAS: 91-15-6

Nature Communications published new progress about Absorption spectra. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Safety of Phthalonitrile.

Zhang, Xuepeng published the artcileUltralong UV/mechano-excited room temperature phosphorescence from purely organic cluster excitons, Safety of Phthalonitrile, the main research area is ultralong UV mechanoexcited temperature phosphorescence cluster exciton.

Purely organic room temperature phosphorescence (RTP) has attracted wide attention recently due to its various application potentials. However, ultralong RTP (URTP) with high efficiency is still rarely achieved. Herein, by dissolving 1,8-naphthalic anhydride in certain organic solid hosts, URTP with a lifetime of over 600 ms and overall quantum yield of over 20% is realized. Meanwhile, the URTP can also be achieved by mech. excitation when the host is mechanoluminescent. Femtosecond transient absorption studies reveal that intersystem crossing of the host is accelerated substantially in the presence of a trace amount of 1,8-naphthalic anhydride. Accordingly, we propose that a cluster exciton spanning the host and guest forms as a transient state before the guest acts as an energy trap for the RTP state. The cluster exciton model proposed here is expected to help expand the varieties of purely organic URTP materials based on an advanced understanding of guest/host combinations.

Nature Communications published new progress about Absorption spectra. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Safety of Phthalonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Ressmann, Anna K.’s team published research in Advanced Synthesis & Catalysis in 2019 | CAS: 1885-29-6

Advanced Synthesis & Catalysis published new progress about Carboxylic acids Role: RCT (Reactant), RACT (Reactant or Reagent). 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks).

Ressmann, Anna K. published the artcileSubstrate-Independent High-Throughput Assay for the Quantification of Aldehydes, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks), the main research area is aldehyde quantification high throughput assay aminobenzamidoxime derivative.

The selective and direct reduction of carboxylic acids into the corresponding aldehydes by chem. methods is still a challenging task in synthesis. Several reductive and oxidative chem. methods are known to produce aldehydes, but most of them require expensive reagents, special reaction conditions, are 2-step procedures and often lack chemoselectivity. Nature provides an elegant tool, so called carboxylic acid reductases (CARs) for the direct reduction of carboxylic acids to aldehydes. Discovery as well as engineering of novel CAR enzymes necessitates a robust, product selective high-throughput assay (HTA). The authors report a simple and fast HTA that allows the substrate-independent and chemoselective quantification of aldehydes (irresp. of their chem. structure) and is sensitive to the nM range. The HTA was validated by NMR and GC analyses and in microbial cells by reexamination of the substrate scope of CAR from Nocardia iowensis (CARNi). The results were fully consistent with reported data.

Advanced Synthesis & Catalysis published new progress about Carboxylic acids Role: RCT (Reactant), RACT (Reactant or Reagent). 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Szamosvari, David’s team published research in Chemical Communications (Cambridge, United Kingdom) in 2020 | CAS: 1885-29-6

Chemical Communications (Cambridge, United Kingdom) published new progress about Antibiotics. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks).

Szamosvari, David published the artcileProfiling structural diversity and activity of 2-alkyl-4(1H)-quinolone N-oxides of Pseudomonas and Burkholderia, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks), the main research area is alkyl quinolone nitrogen oxide antibiotic pseudomonas burkholderia.

We synthesized all major saturated and unsaturated 2-alkyl-4(1H)-quinolone N-oxides of Pseudomonas and Burkholderia, quantified their native production levels and characterized their antibiotic activities against competing Staphylococcus aureus. We demonstrate that quinolone core methylation and position of unsaturation in the alkyl-chain dictate antibiotic potency which supports the proposed mechanism of action.

Chemical Communications (Cambridge, United Kingdom) published new progress about Antibiotics. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Heyne, J.’s team published research in Chemical and Physical Processes in Combustion in 2011 | CAS: 658-98-0

3-Chloro-4-fluorophenylacetonitrile(cas: 658-98-0) belongs to nitriles. Nitriles are found in many useful compounds. Nitrile rubber is also widely used as automotive and other seals since it is resistant to fuels and oils. Organic compounds containing multiple nitrile groups are known as cyanocarbons.Product Details of 658-98-0

The author of 《Water elimination rate measurements for tertiary-butanol》 were Heyne, J.; Dooley, S.; Dryer, F.. And the article was published in Chemical and Physical Processes in Combustion in 2011. Product Details of 658-98-0 The author mentioned the following in the article:

Alternatives to petroleum derived transportation fuels, particularly C4 alcs. (butanols), have been investigated increasingly over the last three years. One butanol isomer, teritary-butanol (derived from petroleum), is already used com. as a gasoline octane number enhancer. Studies of tertiary-butanol (t-butanol) combustion suggest that the water elimination channel (C4H9OH = iC4H8 + H2O) can contribute to approx. 75% of t-butanol consumption in flames [1]. A study of this key reaction has recently been performed in the Princeton Variable Pressure Flow Reactor (VPFR) using radical trappers to isolate this path in t-butanol pyrolysis experiments Radical trappers consume radicals produced in the pyrolysis sufficiently fast to preclude significant secondary radical reactions with t-butanol. Numerical experiments were conducted to estimate the appropriate radical trapper (1,3,5-trimethylbenzene) to fuel (t-butanol) molar ratios. The water elimination reaction was then studied in the temperature range of 658-980 K at 6.1 atm. The rate determination of water elimination reaction of t-butanol at each temperature was found by using a global least squares fit considering the species of water and isobutene. The resulting rates are then compared to previous exptl., computational and estimated rate currently in the literature. Anal. suggests that the water elimination reaction is faster than estimated from previous exptl. studies and occurs at a rate in good agreement with some more recent rate estimations [2].3-Chloro-4-fluorophenylacetonitrile(cas: 658-98-0Product Details of 658-98-0) was used in this study.

3-Chloro-4-fluorophenylacetonitrile(cas: 658-98-0) belongs to nitriles. Nitriles are found in many useful compounds. Nitrile rubber is also widely used as automotive and other seals since it is resistant to fuels and oils. Organic compounds containing multiple nitrile groups are known as cyanocarbons.Product Details of 658-98-0

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

The important role of 623-26-7

The basis of chemical reaction formula synthesis, the synthesis route is composed of some specific reactions and combined according to certain logical thinking. We look forward to the emergence of more reaction modes in the future.

Researchers who often do experiments know that organic synthesis is a process of preparing more complex target molecules from simple raw materials through one or more chemical reactions. Generally, it requires fewer steps, and cheap raw materials. 623-26-7, name is Terephthalonitrile, A new synthetic method of this compound is introduced below., Computed Properties of C8H4N2

Crude p-cyanobenzylamine was synthesized in accordance with the process described in Japanese Unexamined Patent Publication (kokai) No. 9-40630 as follows. Into a 100 ml autoclave, methanol (30 ml) and sponge nickel (R-2400, product of W.R. Grace & Co.) (1.0 g) were placed, and the internal pressure of the autoclave was elevated to 1.0 MPa by introducing hydrogen. The mixture contained in the autoclave was stirred while heating at 150 C. for one hour. Terephthalonitrile (5.0 g) and sodium hydroxide (0.1 g) were introduced into the reactor, and the internal pressure was elevated to 0.5 MPa at ambient temperature while introducing hydrogen. Under monitoring of the hydrogen absorbing rate, when the hydrogen pressure was dropped to 0.1 MPa, the pressure was elevated again to 0.5 MPa. This pressure control operation was repeated. Reaction was terminated when the hydrogen absorption ratio reached 115% of the theoretical value. From the thus-obtained reaction mixture, methanol was removed through distillation. The resultant mixture was subjected to a further distillation at a high temperature under a reduced pressure, thereby removing crude p-cyanobenzylamine. Through high-performance liquid chromatographic analysis of the distillate, the p-cyanobenzylamine content and the p-xylylenediamine content were found to be 93 mass % and 7 mass %, respectively.

The basis of chemical reaction formula synthesis, the synthesis route is composed of some specific reactions and combined according to certain logical thinking. We look forward to the emergence of more reaction modes in the future.

Reference:
Patent; Showa Denko K.K.; US6392083; (2002); B1;,
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Brief introduction of 100-47-0

According to the analysis of related databases, 100-47-0, the application of this compound in the production field has become more and more popular.

Reference of 100-47-0, In the chemical reaction process, reaction time, type of solvent, can easily affect the result of the reaction, thereby determining the yield and properties of the reaction product. An updated downstream synthesis route of 100-47-0 as follows.

Example 1: o-trifluoromethylbenzonitrile. Dark at room temperature, the appropriate amount of the organic solvent (a mixed solvent of acetonitrile and DMSO, both the volume ratio of 1: 0.3) was added 100mmol compound of formula (II), the compound of 150mmol of formula (III), 2 mmol methylbenzene and triazole silver and 200mmol potassium t-butoxide, raising the temperature to 30 , and stirred for 30 minutes, then added dibenzo-18-crown-6, heated to 70 and the reaction was kept stirring for 5 hours; After completion of the reaction, the reaction mixture was added to 1 volume of its diluted with ethyl acetate, and washed successively with saturated aqueous sodium bicarbonate solution, and saturated brine, the organic phase was separated, which was dried over anhydrous sodium sulfate and evaporated distillation, the residue was subjected to silica gel column chromatography (eluent of ethyl acetate and n-butanol mixed solvent, a volume ratio of between 2: 1) to give the compound of the nitrile o-trifluoromethylbenzene of formula (I) (the ortho product yield 92.5%).

According to the analysis of related databases, 100-47-0, the application of this compound in the production field has become more and more popular.

Reference:
Patent; Fujian Wanke Pharmaceutical Co., Ltd; Li, yibiao; Pan, MeiLing; Pan, meixia; (9 pag.)CN104649934; (2016); B;,
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts