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56442-19-4

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56442-19-4 Usage

General Description

4-[(4-Methylbenzyl)oxy]benzenecarboxylic acid is a chemical compound with the molecular formula C15H14O3. It is a carboxylic acid derivative and belongs to the class of benzenecarboxylic acids. This chemical is used in the pharmaceutical industry as a building block for the synthesis of various drug molecules. It has also been studied for its potential anti-inflammatory and analgesic properties. 4-[(4-METHYLBENZYL)OXY]BENZENECARBOXYLIC ACID is a white to off-white solid at room temperature and has a molecular weight of 242.27 g/mol.

Check Digit Verification of cas no

The CAS Registry Mumber 56442-19-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,6,4,4 and 2 respectively; the second part has 2 digits, 1 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 56442-19:
(7*5)+(6*6)+(5*4)+(4*4)+(3*2)+(2*1)+(1*9)=124
124 % 10 = 4
So 56442-19-4 is a valid CAS Registry Number.
InChI:InChI=1/C15H14O3/c1-11-2-4-12(5-3-11)10-18-14-8-6-13(7-9-14)15(16)17/h2-9H,10H2,1H3,(H,16,17)

56442-19-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-[(4-Methylbenzyl)oxy]benzenecarboxylic acid

1.2 Other means of identification

Product number -
Other names 4-(4-Methyl-benzyloxy)-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:56442-19-4 SDS

56442-19-4Relevant articles and documents

Design, synthesis, and biological studies of novel 3-benzamidobenzoic acid derivatives as farnesoid X receptor partial agonist

Hu, Lijun,Ren, Qiang,Deng, Liming,Zhou, Zongtao,Cai, Zongyu,Wang, Bin,Li, Zheng

, (2020/12/25)

Farnesoid X receptor (FXR), a bile acid-activated nuclear receptor, regulates the metabolism of bile acid and lipids as well as maintains the stability of internal environment. FXR was considered as a therapeutic target of liver disorders, such as drug-induced liver injury, fatty liver and cholestasis. The previous reported FXR partial agonist 6 was a suitable lead compound in terms of its high potent and low molecular size, while the docking study of compound 6 suggested a large unoccupied hydrophobic pocket, which might be provided more possibility of structure-activity relationship (SAR) study. In this study, we have performed comprehensive SAR and molecular modeling studies based on lead compound 6. All of these efforts resulted in the identification of a novel series of FXR partial agonists. In this series, compound 41 revealed the best activity and strong interaction with binding pocket of FXR. Moreover, compound 41 protected mice against acetaminophen-induced hepatotoxicity by the regulation of FXR-related gene expression and improving antioxidant capacity. In summary, these results suggest that compound 41 is a promising FXR partial agonist suitable for further investigation.

Design and biological evaluation of phenyl imidazole analogs as hedgehog signaling pathway inhibitors

Sun, Chiyu,Zhang, Ying,Wang, Han,Yin, Zhengxu,Wu, Lingqiong,Huang, Yanmiao,Zhang, Wenhu,Wang, Youbing,Hu, Qibo

, p. 546 - 552 (2020/10/06)

The hedgehog (Hh) signaling pathway is involved in diverse aspects of cellular events. Aberrant activation of Hh signaling pathway drives oncogenic transformation for a wide range of cancers, and it is therefore a promising target in cancer therapy. In the principle of association and ring-opening, we designed and synthesized a series of Hh signaling pathway inhibitors with phenyl imidazole scaffold, which were biologically evaluated in Gli-Luc reporter assay. Compound 25 was identified to possess high potency with nanomolar IC50, and moreover, it preserved the inhibition against wild-type and drug-resistant Smo-overexpressing cells. A molecular modeling study of compound 25 expounded its binding mode to Smo receptor, providing a basis for the further structural modification of phenyl imidazole analogs.

Synthesis and evaluation of novel N-3-benzimidazolephenylbisamide derivatives for antiproliferative and Hedgehog pathway inhibitory activity

Sun, Chiyu,Li, Yangsheng,Shi, Ailong,Zhang, Jingzhou,Li, Yafei,Zhao, Mingming,Zhang, Lijuan,Zheng, Huachuan,Meng, Ying,Ding, Huaiwei,Song, Hongrui

supporting information, p. 1137 - 1142 (2015/06/25)

A series of novel N-3-benzimidazolephenylbisamide derivatives bearing the 4-benzyloxyphenyl moiety were synthesized and evaluated for their antiproliferative activity against MGC803, HT29, MKN45 and SW620 cancer cell lines in vitro. The pharmacological data demonstrated that the majority of the target compounds exhibited higher efficacy against MGC803, HT29 and MKN45 cells, among which compound 7m displayed higher antiproliferative activity than vismodegib. Furthermore, compound 7m manifested better inhibition of the Hedgehog (Hh) signaling pathway in different Hh-related assays and may compete with boron-dipyrromethene (BODIPY)-cyclopamine for binding to the human smoothened (Smo) receptor. In addition, molecular docking studies suggested that compound 7m interacts very closely with the vismodegib docking pose through hydrogen bonds at the taladegib binding site of the Smo receptor.

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