5728-45-0

Basic information

• Product Name: 4-(3-Cyanophenyl)benzoic acid
• Synonyms: 4-(3-Cyanophenyl)benzoic acid;3'-Cyano-4-biphenylcarboxylic acid
• CAS NO: 5728-45-0
• Molecular Formula: C₁₄H₉NO₂
• Molecular Weight: 223.23
• Mol File: 5728-45-0.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 436.6±38.0 °C(Predicted)
• Appearance: /
• Density: 1.30±0.1 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 4.04±0.10(Predicted)
• CAS DataBase Reference: 4-(3-Cyanophenyl)benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(3-Cyanophenyl)benzoic acid(5728-45-0)
• EPA Substance Registry System: 4-(3-Cyanophenyl)benzoic acid(5728-45-0)

Safety Data

• Hazardous Substances Data: 5728-45-0(Hazardous Substances Data)

Usage

General Description

4-(3-Cyanophenyl)benzoic acid is a chemical compound with the molecular formula C15H11NO2. It is a white solid with a molecular weight of 237.25 g/mol. 4-(3-Cyanophenyl)benzoic acid is a benzoic acid derivative, containing a benzoic acid core with a 3-cyanophenyl group attached at the 4-position. It is used as a precursor in the synthesis of various pharmaceuticals and organic compounds. Additionally, it has potential uses in materials science and as a reagent in chemical reactions. Its properties and applications make it a valuable and versatile compound in the field of organic chemistry.

Upstream product

• 89900-92-5 methyl 3′-cyano-[1,1′-biphenyl]-4-carboxylate 
• 619-42-1 4-methoxycarbonylphenyl bromide 
• 150255-96-2 (3‐cyanophenyl)boronic acid 
• 6952-59-6 3-cyanobromobenzene 
• 5730-89-2 4-acetyl-3'-bromobiphenyl 
• 2113-57-7 3-bromobiphenyl 
• 14047-29-1 4-carboxyphenylboronic acid 
• 5737-83-7 3'-bromobiphenyl-4-carboxylic acid 
• 544-92-3 copper(I) cyanide 

Downstream Products

• 89900-92-5 methyl 3′-cyano-[1,1′-biphenyl]-4-carboxylate 

Relevant articles and documents

Lead discovery, chemical optimization, and biological evaluation studies of novel histone methyltransferase SET7 small-molecule inhibitors

The post-translational modifications of histones, including histone methylation and demethylation, control the expression switch of multiple genes. SET domain-containing lysine methyltransferase 7 (SET7) is the only methyltransferase, which can specifically monomethylate lysine-4 of histone H3 (H3K4me1) and play critical roles in various diseases, including breast cancer, hepatitis C virus (HCV), atherosclerotic vascular disease, diabetes, prostate cancer, hepatocellular carcinoma, and obesity. However, several known SET7 inhibitors exhibit weak activity or poor selectivity. Therefore, the development of novel SET7 inhibitors is highly desirable and of great clinical value. In this study, we identified 2–79 as a new hit compound by structure-based virtual screening and further AlphaLISA-based biochemical evaluation. Via chemical optimization, the synthesized compound DC21 was confirmed as a potent SET7 inhibitor with an IC50 value of 15.93 μM. The interaction between DC21 and SET7 was also validated through SPR experiment. Especially, DC21 retarded proliferation of MCF7 cells with an IC50 value of 25.84 μM in cellular level. In addition, DC21 has good selectivity for several other epigenetic targets, such as SUV39H1, G9a, NSD1, DOT1L and MOF. DC21 can serve as a lead compound to develop more potential SET7 inhibitors and as a chemical probe for SET7 biological function studies.

INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS

The present invention relates to compounds of Formula I: I which are agonists of the M-1 muscarinic receptor.

MUSCARINIC AGONISTS

The present invention relates to compounds of Formula (I): which are agonists of the M-1 muscarinic receptor.