651058-97-8

Basic information

• Product Name: 2-chloro-5-(methoxycarbonyl)benzoic acid
• Synonyms: 2-chloro-5-(methoxycarbonyl)benzoic acid;2-chloro-5-(methoxycarbonyl)benzoic
• CAS NO: 651058-97-8
• Molecular Formula: C9H7ClO4
• Molecular Weight: 214.60248
• Mol File: 651058-97-8.mol
• Article Data: 3

Chemical Properties

• Melting Point: 51-52 °C
• Boiling Point: 354.3±27.0 °C(Predicted)
• Appearance: /
• Density: 1.413±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 2.51±0.25(Predicted)
• CAS DataBase Reference: 2-chloro-5-(methoxycarbonyl)benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-chloro-5-(methoxycarbonyl)benzoic acid(651058-97-8)
• EPA Substance Registry System: 2-chloro-5-(methoxycarbonyl)benzoic acid(651058-97-8)

Safety Data

• Hazardous Substances Data: 651058-97-8(Hazardous Substances Data)

Usage

General Description

2-Chloro-5-(methoxycarbonyl)benzoic acid is a chemical compound with the molecular formula C9H7ClO4. It is a derivative of benzoic acid that contains a chlorine atom and a methoxycarbonyl group attached to the benzene ring. 2-chloro-5-(methoxycarbonyl)benzoic acid is commonly used in the synthesis of pharmaceuticals and agrochemicals due to its versatile reactivity and functional groups. It is also employed as an intermediate in the production of other organic compounds, such as dyes, pigments, and polymers. 2-Chloro-5-(methoxycarbonyl)benzoic acid is a white solid at room temperature and is sparingly soluble in water, making it suitable for various chemical processes and applications.

Upstream product

• 7697-29-2 4-chloro-3-methylbenzoic acid 
• 1044920-98-0 methyl 4-chloro-3-formyl-benzoate 
• 91367-05-4 methyl 4-chloro-3-methylbenzoate 

Relevant articles and documents

Design, synthesis, and biological evaluation of dual targeting inhibitors of histone deacetylase 6/8 and bromodomain BRPF1

Histone modifying proteins, specifically histone deacetylases (HDACs) and bromodomains, have emerged as novel promising targets for anticancer therapy. In the current work, based on available crystal structures and docking studies, we designed dual inhibitors of both HDAC6/8 and the bromodomain and PHD finger containing protein 1 (BRPF1). Biochemical and biophysical tests showed that compounds 23a,b and 37 are nanomolar inhibitors of both target proteins. Detailed structure-activity relationships were deduced for the synthesized inhibitors which were supported by extensive docking and molecular dynamics studies. Cellular testing in acute myeloid leukemia (AML) cells showed only a weak effect, most probably because of the poor permeability of the inhibitors. We also aimed to analyse the target engagement and the cellular activity of the novel inhibitors by determining the protein acetylation levels in cells by western blotting (tubulin vs histone acetylation), and by assessing their effects on various cancer cell lines.

Design, synthesis and evaluation of novel 2-(1H-imidazol-2-yl) pyridine Sorafenib derivatives as potential BRAF inhibitors and anti-tumor agents

A series of 2-(1H-imidazol-2-yl) pyridine derivatives (CLW01-CLW31) have been designed and synthesized, and they were screened for BRAF kinase inhibitory activity. Besides, their biological activities were evaluated in vitro and in vivo. All the compounds were reported for the first time, and compounds CLW14 and CLW27 displayed the most potent antiproliferative activity against cell line A375 in vitro, with IC50 values of 4.26 and 2.93 1/4M, respectively, which were comparable with the positive control Sorafenib. Those two compounds were further evaluated for the in vivo efficacy using an A375 xenograft nude mice model. The results showed that the growth of A375 cancer cells xenografts was suppressed by factors of 35.68% and 42.50% (percent tumor growth inhibition values) after intragastric (ig) administration of compound CLW14 and CLW27 at concentration of 50 mg/kg. Thus they may be promising lead compounds to be developed as an alternative for current Sorafenib therapy.