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4-(PhenoxyMethyl)BenzeneCarboxylic Acid, a chemical compound with the molecular formula C15H12O3 and a molar mass of 240.25 g/mol, is derived from benzene and carboxylic acid. It is characterized by its phenoxymethyl group attached to the benzene ring and a carboxylic acid functional group. 4-(PHENOXYMETHYL)BENZENECARBOXYLIC ACID is known for its potential anti-inflammatory and analgesic properties, as well as its potential use in the treatment of cardiovascular diseases and cancer.

31719-76-3

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31719-76-3 Usage

Uses

Used in Pharmaceutical Research:
4-(PhenoxyMethyl)BenzeneCarboxylic Acid is used as a building block in organic synthesis and pharmaceutical research for its potential therapeutic applications. Its unique structure and functional groups make it a valuable component in the development of new medications.
Used in Anti-Inflammatory and Analgesic Medications:
4-(PhenoxyMethyl)BenzeneCarboxylic Acid is used as an active pharmaceutical ingredient for its potential anti-inflammatory and analgesic properties. It may be incorporated into formulations to help alleviate pain and reduce inflammation in various conditions.
Used in Cardiovascular Disease Treatment:
4-(PhenoxyMethyl)BenzeneCarboxylic Acid is being studied for its potential use in the treatment of cardiovascular diseases. Its specific mechanism of action and therapeutic potential in this area are still under investigation, but it may offer new avenues for managing heart-related conditions.
Used in Cancer Therapy:
4-(PhenoxyMethyl)BenzeneCarboxylic Acid has been studied for its potential use in cancer treatment. While further research is needed to fully understand its therapeutic potential, it may contribute to the development of novel cancer therapies by targeting specific cancer-related pathways or enhancing the effectiveness of existing treatments.

Check Digit Verification of cas no

The CAS Registry Mumber 31719-76-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,1,7,1 and 9 respectively; the second part has 2 digits, 7 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 31719-76:
(7*3)+(6*1)+(5*7)+(4*1)+(3*9)+(2*7)+(1*6)=113
113 % 10 = 3
So 31719-76-3 is a valid CAS Registry Number.
InChI:InChI=1/C14H12O3/c15-14(16)12-8-6-11(7-9-12)10-17-13-4-2-1-3-5-13/h1-9H,10H2,(H,15,16)

31719-76-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(PHENOXYMETHYL)BENZENECARBOXYLIC ACID

1.2 Other means of identification

Product number -
Other names 4-Phenoxymethyl-benzoesaeure

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:31719-76-3 SDS

31719-76-3Relevant academic research and scientific papers

Design, synthesis and biological activity of novel substituted 3-benzoic acid derivatives as MtDHFR inhibitors

Dias, Marcio Vinícius Bertacine,Ferreira, Glaucio Monteiro,Kronenberger, Thales,Parise-Filho, Roberto,Pavan, Fernando Rogério,Poso, Antti,Ribeiro, Jo?o Augusto,Tavares, Maurício Temotheo,Trossini, Gustavo Henrique Goulart,da Silva Santos, Soraya,de Souza, Alfredo Danilo Ferreira

, (2020/07/03)

The enzyme dihydrofolate reductase from M. tuberculosis (MtDHFR) has a high unexploited potential to be a target for new drugs against tuberculosis (TB), due to its importance for pathogen survival. Preliminary studies have obtained fragment-like molecule

Computer-Assisted Discovery and Structural Optimization of a Novel Retinoid X Receptor Agonist Chemotype

Heitel, Pascal,Gellrich, Leonie,Kalinowsky, Lena,Heering, Jan,Kaiser, Astrid,Ohrndorf, Julia,Proschak, Ewgenij,Merk, Daniel

, p. 203 - 208 (2019/01/25)

As universal heterodimer partners of many nuclear receptors, the retinoid X receptors (RXRs) constitute key transcription factors. They regulate cell proliferation, differentiation, inflammation, and metabolic homeostasis and have recently been proposed as potential drug targets for neurodegenerative and inflammatory diseases. Owing to the hydrophobic nature of RXR ligand binding sites, available synthetic RXR ligands are lipophilic, and their structural diversity is limited. Here, we disclose the computer-assisted discovery of a novel RXR agonist chemotype and its systematic optimization toward potent RXR modulators. We have developed a nanomolar RXR agonist with high selectivity among nuclear receptors and superior physicochemical properties compared to classical rexinoids that appears suitable for in vivo applications and as lead for future RXR-targeting medicinal chemistry.

Metal-Free I2-Catalyzed Highly Selective Dehydrogenative Coupling of Alcohols and Cyclohexenones

Liang, Yu-Feng,Yuan, Yizhi,Shen, Tao,Song, Song,Jiao, Ning

, p. 233 - 240 (2018/02/19)

The I2 catalyzed highly selective oxidative condensation of cyclohexenones and alcohols for the synthesis of aryl alkyl ethers has been described. DMSO is employed as the mild terminal oxidant. This novel methodology offers a metal-free reaction condition, operational simplicity and broad substrate scope to afford valuable products from inexpensive reagents. Various meta-substituted aromatic ethers which are hardly synthesized from the reported methods requiring meta-substituted phenols, are efficiently prepared by the present protocol.

Design, synthesis and biological evaluation of novel hydroxamates and 2-aminobenzamides as potent histone deacetylase inhibitors and antitumor agents

Xie, Rui,Yao, Yue,Tang, Pingwah,Chen, Guangyao,Liu, Xia,Yun, Fan,Cheng, Chunhui,Wu, Xinying,Yuan, Qipeng

, p. 1 - 12 (2017/04/11)

Many studies have indicated that histone deacetylase (HDAC) inhibitors are promising agents for the treatment of cancer. With the aim to search for novel potent HDAC inhibitors, we designed and synthesized two series of hydroxamates and 2-aminobenzamides

Benzamide compound and application thereof in preparation of medicines for inhibiting cancer cell proliferation and/or treating cancer

-

Paragraph 0034, (2017/08/25)

The invention discloses a benzamide compound and an application thereof in preparation of medicines for inhibiting cancer cell proliferation and/or treating cancer. The compound has an ability to inhibit the cancer cell proliferation, and the purpose of cancer treatment is achieved. In particular, the compound has excellent cancer cell proliferation inhibiting activity on inhibiting human lung cancer cells A549, human gastric cancer cells MGC80-3, human hepatoma cells HepG2 and human colon cancer cells HCT116. The compound has the following structure described in the specification, wherein R1 is hydrogen, fluorine, chlorine, bromine, iodine, alkyl, alkoxy, alkyl carbonyl, alkoxy carbonyl, alkyl amide, nitro, cyano, aryl or heteroaryl, and R2 is hydrogen, fluorine, chlorine, bromine, iodine, alkyl, alkoxy, alkyl carbonyl, alkoxy carbonyl, alkyl amide, nitro, cyano, aryl or heteroaryl.

Synthesis and evaluation of phenoxymethylbenzamide analogues as anti-trypanosomal agents

Manos-Turvey, Alexandra,Watson, Emma E.,Sykes, Melissa L.,Jones, Amy J.,Baell, Jonathan B.,Kaiser, Marcel,Avery, Vicky M.,Payne, Richard J.

supporting information, p. 403 - 406 (2015/03/18)

The synthesis and anti-trypanosomal activity of a compound library based on a phenoxymethylbenzamide hit discovered in a high throughput screen is described. Several of the analogues exhibited potent activity against Trypanosoma brucei rhodesiense, a human infective strain of the trypanosome parasite, that serve as lead compounds for further optimisation. This journal is

Modulators of methyl modifying enzymes, compositions and uses thereof

-

Page/Page column 116; 117, (2015/12/26)

Agents for modulating methyl modifying enzymes, compositions and uses thereof are provided herein.

2-(HETERO)ARYL-BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF ASPARAGIME EMETHYL TRANSFERASE

-

Page/Page column 50; 51, (2014/09/03)

Substituted benzimidazole and 3H-imidazo[4,5-b]pyridines or formula I: where X and Y respectively are selected from: (i) N and N; and (ii) N and CR4; A2 is selected from:, a C5 heteroarylene group, containing 2 or 3 ring heteroatoms, where the bonds to L1 and the core are β to one another; L1 is selected from: (i)A1-O-CH2-A2; (ii)A1-CH2-O-A2; (iii)A1-C(=O)-NH-A2; (iv)A1-CH(OH)-A2; (v)A1-CH2-NH-C(=O)-A2; (vi) A1-S-CH2-A2; (vii)A1- CH2-S-A2; (viii)A1-CH2-A2; and (ix)A1-CH(CH3)-O-A2; A1 is phenyl, optionally substituted by F or CF3; their use as pharmaceuticals, and in particular, in treating cancer and hemoglobinopathies.

MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF

-

Paragraph 00206; 00208, (2013/06/05)

Agents for modulating methyl modifying enzymes, compositions and uses thereof are provided herein

METHOD OF REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED BENZOATES

-

Page/Page column 11; 12; 18; 19; 20, (2013/03/26)

A method of synthesis of para-substituted benzoate esters and acids is provided, wherein the para-substituted regioisomer is obtained substantially free of the meta-substituted impurity, the method comprising contacting a coumalate ester or acid and an un activated alkene at elevated temperature in the presence of a metal oxidation catalyst and an oxidant. The metal oxidation catalyst can be palladium, such as palladium on carbon, and the oxidant can be the oxygen gas in ambient air. The reaction can be carlied out without solvent or in high boiling hydrocarbon solvents such as mesitylene. When the un activated alkene is a monosubstituted alkene, yields of at least about 50 or 60% of para-substituted ester and acid products, respectively, are obtained, substantially free of the regioisomelic meta-substituted impurity.

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