4467-07-6

Basic information

• Product Name: 3-PYRID-2-YLBENZOIC ACID
• Synonyms: 3-(2-PYRIDINYL)BENZOIC ACID;AKOS BAR-0487;3-PYRID-2-YLBENZOIC ACID;3-PYRIDIN-2-YL-BENZOIC ACID;3-(3-Chloropyridin-2-yl)benzoic acid;3-(3-Cyanopyridin-2-yl)benzoic acid;3-(3-Fluoropyridin-2-yl)benzoic acid;3-(3-Methoxypyridin-2-yl)benzoic acid
• CAS NO: 4467-07-6
• Molecular Formula: C₁₂H₉NO₂
• Molecular Weight: 199.21
• Product Categories: API intermediates
• Mol File: 4467-07-6.mol
• Article Data: 11

Chemical Properties

• Melting Point: 207 °C
• Boiling Point: 409 °C at 760 mmHg
• Flash Point: 201.1 °C
• Appearance: /
• Density: 1.241 g/cm³
• Vapor Pressure: 2.01E-07mmHg at 25°C
• Refractive Index: 1.613
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.49±0.10(Predicted)
• CAS DataBase Reference: 3-PYRID-2-YLBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-PYRID-2-YLBENZOIC ACID(4467-07-6)
• EPA Substance Registry System: 3-PYRID-2-YLBENZOIC ACID(4467-07-6)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Hazardous Substances Data: 4467-07-6(Hazardous Substances Data)

Usage

General Description

3-Pyrid-2-ylbenzoic acid is a chemical compound that consists of a benzoic acid molecule with a pyridine ring attached at the 3-position. It is commonly used in the pharmaceutical industry as an intermediate for the synthesis of various drugs and biologically active compounds. 3-PYRID-2-YLBENZOIC ACID has also been studied for its potential anti-inflammatory and antimicrobial properties. Its unique structure makes it a valuable building block for the development of new pharmaceuticals and materials with specialized properties. Additionally, the presence of both pyridine and benzoic acid functional groups in its structure gives 3-pyrid-2-ylbenzoic acid diverse applications in medicinal and chemical research.

InChI:InChI=1/C12H9NO2/c14-12(15)10-5-3-4-9(8-10)11-6-1-2-7-13-11/h1-8H,(H,14,15)

Upstream product

• 1432795-28-2 2-pyridineboronic acid N-phenyldiethanolamine ester 
• 585-76-2 m-bromobenzoic acid 
• 109-04-6 2-bromo-pyridine 
• 269409-73-6 3-carboxyphenylboronic acid pinacol ester 
• 17933-03-8 m-tolylboronic acid 
• 99769-19-4 [3-(methoxycarbonyl)phenyl]boronic acid 
• 98061-20-2 3-pyridin-2-yl-benzoic acid methyl ester 
• 4373-61-9 2-(m-tolyl)pyridine 
• 591-17-3 meta-bromotoluene 
• 25487-66-5 3-Carboxyphenylboronic acid 

Downstream Products

• 1440513-09-6 C₁₄H₁₄N₂O₂ 
• 1440513-10-9 C₁₄H₁₃ClN₂O 
• 1440513-11-0 1-(2-oxazolinyl)-3-(2-pyridyl)benzene 
• 1440513-12-1 C₁₄H₁₁ClHgN₂O 
• 1616059-37-0 N-(2-hydroxy-3-(isoindolin-2-yl)propyl)-3-(pyridin-2-yl)benzamide 
• 23380-75-8 5-(2-Pyridyl)salicylsaeure 
• 1616246-06-0 (R)-N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-3-(pyridin-2-yl)benzamide 
• 1616246-07-1 (S)-N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-3-(pyridin-2-yl)benzamide 

Relevant articles and documents

N-(1H-IMIDAZOL-2-YL)BENZAMIDE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AS ACTIVE INGREDIENT

N-(1H-imidazol-2-yl)benzamide compound of formula (I), or a pharmaceutically acceptable salt, a prodrug, a solvate, or a stereoisomer thereof which is a novel compound exhibiting excellent inhibitory activity against IRAK-4, can be used without side effects for efficient prevention and treatment of diseases mediated by IRAK-4 receptors, particularly autoimmune diseases or lymphomas.

Design, synthesis, and biological evaluation of tetrahydroquinolin derivatives as potent inhibitors of CBP bromodomain

CREB-binding protein (CBP) is a large multi-domain protein containing a HAT domain catalyzing transacetylation and a bromodomain responsible for acetylated lysine recognition. CBPs could act as transcription co-activators to regulate gene expression and have been shown to play a significant role in the development and progression of many cancers. Herein, through in silico screening two hit compounds with tetrahydroquinolin methyl carbamate scaffold were discovered, among which DC-CPin7 showed an in vitro inhibitory activity with the TR-FRET IC50 value of 2.5 ± 0.3 μM. We obtained a high-resolution co-crystal structure of the CBP bromodomain in complex with DC-CPin7 to guide following structure-based rational drug design, which yielded over ten DC-CPin7 derivatives with much higher potency, among which DC-CPin711 showed approximately 40-fold potency compared with hit compound DC-CPin7 with an in vitro TR-FRET IC50 value of 63.3 ± 4.0 nM. Notably, DC-CPin711 showed over 150-fold selectivity against BRD4 bromodomains. Moreover, DC-CPin711 showed micromolar level of anti-leukemia proliferation through G1 phase cell cycle arrest and cell apoptosis. In summary, through a combination of computational and crystal-based structure optimization, DC-CPin711 showed potent in vitro inhibitory activities to CBP bromodomain with a decent selectivity towards BRD4 bromodomains and good cellular activity to leukemia cells, which could further be applied to related biological and translational studies as well as serve as a lead compound for future development of potent and selective CBP bromodomain inhibitors.

ARYL SULFONOHYDRAZIDES

Compound of formula (I) wherein A is selected from (i), where RF1 is H or F; (ii); (iii) a N-containing C6 heteroaryl group; and B is (B), where X1 is either CRF2 or N, where RF2 is H or F; X2 is either CR3 or N, where R3 is selected from H, Me, CI, F OMe; X3 is either CH or N; X4 is either CRF3 or N, where RF3 is H or F; where only one or two of X1, X2, X3 and X4 may be N; and R4 is selected from I, optionally substituted phenyl, optionally substituted C5-6 heteroaryl; optionally substituted C1-6 aIkyI and optionally substituted C1-6 alkoxy, which are useful in the treatment of a condition ameliorated by the inhibition of MOZ.