52798-01-3

Usage

Uses

Methyl (4-cyanophenyl)acetate was a useful reagent in studying pyrazolopyridinones as functionally selective GABAA ligands.

InChI:InChI=1/C10H9NO2/c1-13-10(12)6-8-2-4-9(7-11)5-3-8/h2-5H,6H2,1H3

Upstream product

• 104-85-8 para-methylbenzonitrile 
• 79-22-1 methyl chloroformate 
• 557-21-1 dicyanozinc 
• 147283-85-0 (4-Trifluoromethanesulfonyloxy-phenyl)-acetic acid methyl ester 
• 67-56-1 methanol 
• 5462-71-5 4-cyanophenylacetic acid 
• 1360788-99-3 4-(2-oxo-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl)benzonitrile 
• 105-07-7 4-cyanobenzaldehyde 
• 131356-52-0 2,2-dibromo-1-(4-cyanophenyl)ethene 
• 874-89-5 4-Cyanobenzyl alcohol 
• 2252-32-6 4-cyanophenyldiazonium tetrafluoroborate 
• 107-13-1 acrylonitrile 
• 17201-43-3 4-cyanobenzyl bromide 
• 557-21-1 zinc(II) cyanide 

Downstream Products

• 79149-55-6 2-(4-cyanophenyl)-N,N-dimethylacetamide 
• 79149-59-0 2-(4-cyanophenyl)-N-methyl-acetamide 
• 124997-83-7 (CNC₆H₄)CH₂COGe(C₆H₅)3 
• 1380605-32-2 (+/-)-(4-Cyanophenyl)(cyclopentyl)acetic acid 
• 1380604-95-4 (+/-)-methyl (4-cyanophenyl)(cyclopentyl)acetate 
• 444807-47-0 methyl 2-(4-cyanophenyl)-2-methylpropanoate 
• 79149-24-9 4-(2-Oxo-2-pyrrolidin-1-yl-ethyl)-thiobenzimidic acid methyl ester; hydriodide 
• 79149-09-0 4-Amidinophenylessigsaeurepyrrolididhydroiodid 
• 79149-28-3 4-Dimethylcarbamoylmethyl-thiobenzimidic acid methyl ester; hydriodide 
• 79149-32-9 4-Methylcarbamoylmethyl-thiobenzimidic acid methyl ester; hydriodide 
• 79149-14-7 4-Amidinophenylessigsaeuredimethylamidhydroiodid 
• 79149-18-1 4-Amidinophenylessigsaeuremethylamidhydroiodid 
• 79149-36-3 4-(2-Oxo-2-pyrrolidin-1-yl-ethyl)-thiobenzamide 
• 79149-42-1 N,N-Dimethyl-2-(4-thiocarbamoyl-phenyl)-acetamide 

Relevant academic research and scientific papers

PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND THEIR USE

The present invention provides, in part, novel small molecule inhibitors of PHD, having a structure according to Formula (A), and sub-formulas thereof: or a pharmaceutically acceptable salt thereof. The compounds provided herein can be useful for treatmen

PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE

The present invention provides, in part, novel small molecule inhibitors of PHD, having a structure according to Formula (A), and sub-formulas thereof: or a pharmaceutically acceptable salt thereof. The compounds provided herein can be useful for treatment of diseases including heart ( e.g. ischemic heart disease, congestive heart failure, and valvular heart disease), lung (e.g., acute lung injury, pulmonary hypertension, pulmonary fibrosis, and chronic obstructive pulmonary disease), liver (e.g. acute liver failure and liver fibrosis and cirrhosis), and kidney (e.g. acute kidney injury and chronic kidney disease) disease.

PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE

The present invention provides, in part, novel small molecule inhibitors of PHD, having a structure according to Formula (A), and sub-formulas thereof, or a pharmaceutically acceptable salt thereof. The compounds provided herein can be useful for treatmen

B(C6F5)3-Catalyzed site-selective N1-alkylation of benzotriazoles with diazoalkanes

Alkylation of benzotriazoles is synthetically challenging, often leading to mixtures of N1 and N2 alkylation. Herein, metal-free catalytic site-selective N1-alkylation of benzotriazoles with diazoalkanes is described in the presence of 10 mol% of B(C6F5)3. These reactions provide N1-alkylated benzotriazoles in good to excellent yields and this protocol is successfully adapted to gram-scale syntheses as well as a derivative with antimicrobial activity.

Boryl Radical Activation of Benzylic C-OH Bond: Cross-Electrophile Coupling of Free Alcohols and CO2via Photoredox Catalysis

A new strategy for the direct cleavage of the C(sp3)-OH bond has been developed via activation of free alcohols with neutral diphenyl boryl radical generated from sodium tetraphenylborate under mild visible light photoredox conditions. This strategy has been verified by cross-electrophile coupling of free alcohols and carbon dioxide for the synthesis of carboxylic acids. Direct transformation of a range of primary, secondary, and tertiary benzyl alcohols to acids has been achieved. Control experiments and computational studies indicate that activation of alcohols with neutral boryl radical undergoes homolysis of the C(sp3)-OH bond, generating alkyl radicals. After reducing the alkyl radical into carbon anion under photoredox conditions, the following carboxylation with CO2 affords the coupling product.

OVERPOWERED ABA RECEPTOR AGONISTS

The present invention sets forth small novel abscisic acid (ABA) receptor agonist scaffolds and compounds with potent in vivo activity. In some aspects, the present invention provides agricultural formulations and methods comprising the ABA receptor agonists described herein, such as methods of managing crop water use and improving stress tolerance (e.g., drought tolerance). In some preferred embodiments, the inventive compounds have improved properties relative to the current "best in-class" molecules quinabactin and its derivatives.

Discovery of carboxyl-containing biaryl ureas as potent RORγt inverse agonists

GSK805 (1) is a potent RORγt inverse agonist, but a drawback of 1 is its low solubility, leading to a limited absorption in high doses. We have explored detailed structure-activity relationship on the amide linker, biaryl and arylsulfonyl moieties of 1 trying to improve solubility while maintaining RORγt activity. As a result, a novel series of carboxyl-containing biaryl urea derivatives was discovered as potent RORγt inverse agonists with improved drug-like properties. Compound 3i showed potent RORγt inhibitory activity and subtype selectivity with an IC50 of 63.8 nM in RORγ FRET assay and 85 nM in cell-based RORγ-GAL4 promotor reporter assay. Reasonable inhibitory activity of 3i was also achieved in mouse Th17 cell differentiation assay (76percent inhibition at 0.3 μM). Moreover, 3i had greatly improved aqueous solubility at pH 7.4 compared to 1, exhibited decent mouse PK profile and demonstrated some in vivo efficacy in an imiquimod-induced psoriasis mice model.

Glutaminase inhibitors as well as compositions and applications thereof

The invention provides a series of heterocyclic compounds expressed in a formula I. The compound comprises glutaminase inhibition activity, and can be used for treating diseases and symptoms related to dysfunction of glutaminase or raising activity of glutaminase.

Antiproliferative activity and SARs of caffeic acid esters with mono-substituted phenylethanols moiety

A series of CAPE derivatives with mono-substituted phenylethanols moiety were synthesized and evaluated by MTT assay on growth of 4 human cancer cell lines (Hela, DU-145, MCF-7 and ECA-109). The substituent effects on the antiproliferative activity were systematically investigated for the first time. It was found that electron-donating and hydrophobic substituents at 2′-position of phenylethanol moiety could significantly enhance CAPE's antiproliferative activity. 2′-Propoxyl derivative, as a novel caffeic acid ester, exhibited exquisite potency (IC50?=?0.4?±?0.02 & 0.6?±?0.03?μM against Hela and DU-145 respectively).

Synthesis of Ketones and Esters from Heteroatom-Functionalized Alkenes by Cobalt-Mediated Hydrogen Atom Transfer

Cobalt bis(acetylacetonate) is shown to mediate hydrogen atom transfer to a broad range of functionalized alkenes; in situ oxidation of the resulting alkylradical intermediates, followed by hydrolysis, provides expedient access to ketones and esters. By modification of the alcohol solvent, different alkyl ester products may be obtained. The method is compatible with a number of functional groups including alkenyl halides, sulfides, triflates, and phosphonates and provides a mild and practical alternative to the Tamao-Fleming oxidation of vinylsilanes and the Arndt-Eistert homologation.