4385-76-6

Basic information

• Product Name: 4-Pyrid-4-ylbenzoic acid
• Synonyms: 4-(3-PYRIDYL)BENZOIC ACID;4-(3-PYRIDINYL)BENZOIC ACID;4-(4-CARBOXYPHENYL)PYRIDINE;4'-PYRIDYL-4-BENZOIC ACID;4-PYRIDIN-3-YL-BENZOIC ACID;4-PYRIDIN-4-YL-BENZOIC ACID;4-PYRID-3-YLBENZOIC ACID;4-PYRID-4-YLBENZOIC ACID
• CAS NO: 4385-76-6
• Molecular Formula: C₁₂H₉NO₂
• Molecular Weight: 199.21
• Product Categories: pharmacetical
• Mol File: 4385-76-6.mol
• Article Data: 20

Chemical Properties

• Melting Point: >300°C
• Boiling Point: 384.27 °C at 760 mmHg
• Flash Point: 186.2 °C
• Appearance: /
• Density: 1.241 g/cm³
• Vapor Pressure: 1.36E-06mmHg at 25°C
• Refractive Index: 1.613
• Storage Temp.: Inert atmosphere,Room Temperature
• PKA: 3?+-.0.10(Predicted)
• Water Solubility: Slightly soluble in water.
• CAS DataBase Reference: 4-Pyrid-4-ylbenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Pyrid-4-ylbenzoic acid(4385-76-6)
• EPA Substance Registry System: 4-Pyrid-4-ylbenzoic acid(4385-76-6)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39-22-37
• HazardClass: IRRITANT
• Hazardous Substances Data: 4385-76-6(Hazardous Substances Data)

Usage

General Description

4-Pyrid-4-ylbenzoic acid is a chemical compound with the molecular formula C12H9NO2. It is a derivative of benzoic acid with a pyridine ring attached to the para position of the benzene ring. 4-Pyrid-4-ylbenzoic acid is commonly used in the pharmaceutical industry as a building block for the synthesis of various pharmaceutical drugs. It is also used as an intermediate in the production of dyes and pigments. 4-Pyrid-4-ylbenzoic acid has an aromatic nature and is often used as a reagent in organic synthesis reactions. Overall, this compound plays a crucial role in the manufacturing of various valuable products in the pharmaceutical and chemical industries.

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

Upstream product

• 14047-29-1 4-carboxyphenylboronic acid 
• 19524-06-2 4-bromopyridine hydrochloride 
• 619-58-9 4-iodobenzoic acid 
• 1692-15-5 4-pyridylboronic acid 
• 99163-12-9 4-(pyridin-4-yl)benzaldehyde 
• 4423-10-3 4-(p-tolyl)pyridine 
• 87199-17-5 4-formylphenylboronic acid, 
• 4385-72-2 4-pyridin-4-yl-benzoic acid ethyl ester 
• 106047-17-0 4-Pyridin-4-yl-benzoic acid methyl ester 
• 180516-87-4 4-carboxyphenylboronic acid pinacol ester 
• 1120-87-2 4-bromopyridin 

Downstream Products

• 193153-18-3 4-(pyridin-4-yl)benzoic acid chloride 
• 193152-99-7 (2R,3R)-2-(3-Cyano-benzyl)-3-(4-pyridin-4-yl-benzoylamino)-butyric acid methyl ester 
• 259802-91-0 1-[(5-chloroindol-1-phenylsulfonyl-2-yl)sulfonyl]-4-[4-(4-pyridyl)benzoyl]piperazine 
• 222986-36-9 1-(tert-butoxycarbonyl)-4-[4-(4-pyridyl)benzoyl]piperazine 
• 249292-06-6 1-[(6-chloroindol-2-yl)sulfonyl]-4-[4-(4-pyridyl)benzoyl]piperazine 
• 207798-71-8 1-[(6-chloronaphthalen-2-yl)sulfonyl]-4-[4-(pyridin-4-yl)benzoyl]piperazine 
• 859140-20-8 1-[(6-chloro-1-phenylsulfonylindol-2-yl)sulfonyl]-4-[4-(4-pyridyl)benzoyl]piperazine 
• 193153-02-5 (2R,3R)-2-(3-Cyano-benzyl)-3-[4-(1-oxy-pyridin-4-yl)-benzoylamino]-butyric acid methyl ester 

Relevant articles and documents

Mesomorphic properties of 4-(4-pyridyl)-benzoic acid esters

Formerly unknown 4-(4-pyridyl)benzoic acid was synthesized and some of its esters were prepared, their mesomorphic properties were examined. Alkyl-esters of the said acid are nonmesomorphic, while three-ring aryl esters form monotropic smectic A state. Esters aren't stable, they hydrolize easily.

Structure-based drug optimization and biological evaluation of tetrahydroquinolin derivatives as selective and potent CBP bromodomain inhibitors

CBP bromodomain could recognize acetylated lysine and function as transcription coactivator to regulate transcription and downstream gene expression. Furthermore, CBP has been shown to be related to many human malignancies including acute myeloid leukemia. Herein, we identified DC-CPin734 as a potent CBP bromodomain inhibitor with a TR-FRET IC50 value of 19.5 ± 1.1 nM and over 400-fold of selectivity against BRD4 bromodomains through structure based rational drug design guided iterative chemical modification endeavoring to discover optimal tail-substituted tetrahydroquinolin derivatives. Moreover, DC-CPin734 showed potent inhibitory activity to AML cell line MV4-11 with an IC50 value of 0.55 ± 0.04 μM, and its cellular on-target effects were further evidenced by c-Myc downregulation results. In summary, DC-CPin734 showing good potency, selectivity and anti AML activity could serve as a potent and selective in vitro and in vivo probe of CBP bromodomain and a promising lead compound for future drug development.

PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERSAS AS AGONISTS OF G- PROTEIN COUPLED RECEPTOR 43 (GPR43)

The present invention is directed to novel compounds of formula (I) and their use in treating and/or preventing metabolic diseases.

Structural modifications of salicylates: Inhibitors of human CD81-receptor HCV-E2 interaction

Starting point of the present paper was the result of a virtual screening using the open conformation of the large extracellular loop (LEL) of the CD81-receptor (crystal structure: PDB-ID: 1G8Q). After benzyl salicylate had been experimentally validated to be a moderate inhibitor of the CD81-LEL-HCV-E2 interaction, further optimization was performed and heterocyclic-substituted benzyl salicylate derivatives were synthesized. The compounds were tested for their ability to inhibit the interaction of a fluorescence-labeled antibody to CD81-LEL using HUH7.5 cells. No compound showed an increase concerning the inhibition of the protein-protein interaction compared to benzyl salicylate.