Category: 103261-68-3

Yang, Yiqing; Tang, Tongke; Li, Xiaolu; Michel, Thomas; Ling, Liqin; Huang, Zhenghui; Mulaka, Maruthi; Wu, Yue; Gao, Hongying; Wang, Liguo; Zhou, Jing; Meunier, Brigitte; Ke, Hangjun; Jiang, Lubin; Rao, Yu published the artcile< Design, synthesis, and biological evaluation of multiple targeting antimalarials>, Application In Synthesis of 103261-68-3, the main research area is quinoline preparation antimalarial; Antimalarial inhibitors; Drug design; Mechanism of action; Membrane proteins; Multiple targeting compounds.

Here, authors performed a structure-based drug design on mitochondrial respiratory chain of Plasmodium falciparum and identified an extremely potent mol., RYL-581, which binds to multiple protein binding sites of P. falciparum simultaneously (allosteric site of type II NADH dehydrogenase, Qo and Qi sites of cytochrome bc1). Antimalarials with such multiple targeting mechanism of action have never been reported before. RYL-581 kills various drug-resistant strains in vitro and shows good solubility as well as in vivo activity. This structure-based strategy for designing RYL-581 from starting compound may be helpful for other medicinal chem. projects in the future, especially for drug discovery on membrane-associated targets.

Acta Pharmaceutica Sinica B published new progress about Antimalarials. 103261-68-3 belongs to class nitriles-buliding-blocks, and the molecular formula is C10H9NO2, Application In Synthesis of 103261-68-3.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Thorarensen, Atli; Wakefield, Brian D.; Romero, Donna L.; Marotti, Keith R.; Sweeney, Michael T.; Zurenko, Gary E.; Rohrer, Douglas C.; Han, Fusen; Bryant, Garold L. published the artcile< Preparation of novel anthranilic acids as antibacterial agents. Extensive evaluation of alternative amide bioisosteres connecting the A- and the B-rings>, Recommanded Product: Methyl 5-cyano-2-methylbenzoate, the main research area is anthranilic acid analog preparation antibacterial.

The identification of an anthranilic acid lead and the optimization resulting in the advanced lead I was recently described. In this report, the preparation of several selected amide bioisosteres connecting the two benzene rings are described. The E-alkene provided a rigid analog with equal potency to the corresponding amide. This indicates that the amide is not a recognition element and rather acts as an appropriate spatial linker of the two important aryl rings. The work here clearly demonstrates that the amide linker can be replaced with several functionalities without significant deterioration in the MIC activity.

Bioorganic & Medicinal Chemistry Letters published new progress about Antibacterial agents. 103261-68-3 belongs to class nitriles-buliding-blocks, and the molecular formula is C10H9NO2, Recommanded Product: Methyl 5-cyano-2-methylbenzoate.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Wang, Le; Wang, Gary T.; Wang, Xilu; Tong, Yunsong; Sullivan, Gerry; Park, David; Leonard, Nicholas M.; Li, Qun; Cohen, Jerry; Gu, Wen-Zhen; Zhang, Haiying; Bauch, Joy L.; Jakob, Clarissa G.; Hutchins, Charles W.; Stoll, Vincent S.; Marsh, Kennan; Rosenberg, Saul H.; Sham, Hing L.; Lin, Nan-Horng published the artcile< Design, Synthesis, and Biological Activity of 4-[(4-Cyano-2-arylbenzyloxy)-(3-methyl-3H-imidazol-4-yl)methyl]benzonitriles as Potent and Selective Farnesyltransferase(FTase) Inhibitors>, Recommanded Product: Methyl 5-cyano-2-methylbenzoate, the main research area is farnesylation Ras protein cyano aryl benzyloxy methylimidazolylmethyl benzonitrile preparation; benzamide cyano cyanophenyl methylimidazolylmethoxymethyl preparation farnesyltransferase inhibitor; farnesyltransferase inhibitor cyano aryl benzyloxy methylimidazolylmethyl benzonitrile preparation; pharmacophore farnesyltransferase inhibitor cyano aryl benzyloxy methylimidazolylmethyl benzonitrile preparation; crystal structure cyanophenyl methylimidazolylmethoxymethyl biphenylcarbonitrile farnesyltransferase complex preparation; mol structure cyanophenyl methylimidazolylmethoxymethyl biphenylcarbonitrile farnesyltransferase complex preparation.

A novel series of 4-[(4-cyano-2-arylbenzyloxy)-(3-methyl-3H-imidazol-4-yl)methyl]benzonitriles have been synthesized as selective farnesyltransferase inhibitors using a structure-based design. X-ray cocrystal structures of compound 6-[[(1R)-(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl]-3′-methoxy[1,1′-biphenyl]-3-carbonitrile-FTase-HFP and A313326-FTase-HFP confirmed our initial design. The decreased interaction between the aryl groups and Ser 48 in GGTase-I binding site could be one possible reason to explain the improved selectivity for this new series of FTase inhibitors. Medicinal chem. efforts led to the discovery of 3-cyano-6-[[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl]-N-phenylbenzamide (I) with potent cellular activity (EC50 = 3.5 nM) and outstanding pharmacokinetic profiles in dog (96% bioavailable, 18.4 h oral t1/2, and 0.19 L/(h·kg) plasma clearance).

Journal of Medicinal Chemistry published new progress about Crystal structure. 103261-68-3 belongs to class nitriles-buliding-blocks, and the molecular formula is C10H9NO2, Recommanded Product: Methyl 5-cyano-2-methylbenzoate.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Ghosh, Arun K.; Takayama, Jun; Aubin, Yoann; Ratia, Kiira; Chaudhuri, Rima; Baez, Yahira; Sleeman, Katrina; Coughlin, Melissa; Nichols, Daniel B.; Mulhearn, Debbie C.; Prabhakar, Bellur S.; Baker, Susan C.; Johnson, Michael E.; Mesecar, Andrew D. published the artcile< Structure-Based Design, Synthesis, and Biological Evaluation of a Series of Novel and Reversible Inhibitors for the Severe Acute Respiratory Syndrome-Coronavirus Papain-Like Protease>, Quality Control of 103261-68-3, the main research area is SARS CoV Coronavirus severe acute respiratory syndrome; naphthalene derivative SAR preparation antiviral agent.

We describe here the design, synthesis, mol. modeling, and biol. evaluation of a series of small mol., nonpeptide inhibitors of SARS-CoV PLpro. Our initial lead compound was identified via high-throughput screening of a diverse chem. library. We subsequently carried out structure-activity relationship studies and optimized the lead structure to potent inhibitors that have shown antiviral activity against SARS-CoV infected Vero E6 cells. Upon the basis of the X-ray crystal structure of inhibitor (III)-bound to SARS-CoV PLpro, a drug design template was created. Our structure-based modification led to the design of a more potent inhibitor, (I) (enzyme IC50 = 0.46 μM; antiviral EC50 = 6 μM). Interestingly, its methylamine derivative, (II), displayed good enzyme inhibitory potency (IC50 = 1.3 μM) and the most potent SARS antiviral activity (EC50 = 5.2 μM) in the series. We have carried out computational docking studies and generated a predictive 3D-QSAR model for SARS-CoV PLpro inhibitors.

Journal of Medicinal Chemistry published new progress about Antiviral agents. 103261-68-3 belongs to class nitriles-buliding-blocks, and the molecular formula is C10H9NO2, Quality Control of 103261-68-3.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Crosby, John; Moilliet, Jock; Parratt, Julian S.; Turner, Nicholas J. published the artcile< Regioselective hydrolysis of aromatic dinitriles using a whole cell catalyst>, Name: Methyl 5-cyano-2-methylbenzoate, the main research area is regioselective hydrolysis aromatic dinitrile biochem catalyst; whole cell catalyst hydrolysis aromatic dinitrile.

A series of aromatic dinitriles have been examined as substrates for an immobilized whole cell Rhodococcus sp. that catalyzes the hydrolysis of nitriles to amides and/or carboxylic acids. The fluorinated aromatic dinitriles were regioselectivity hydrolyzed to the corresponding cyano amides whereas the non-fluorinated analogs were converted to cyano acids but with poorer regioselectivity.

Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) published new progress about Brevibacterium Role: CAT (Catalyst Use), USES (Uses). 103261-68-3 belongs to class nitriles-buliding-blocks, and the molecular formula is C10H9NO2, Name: Methyl 5-cyano-2-methylbenzoate.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts