908562-25-4

Basic information

• Product Name: 3-bromomethyl-4-cyanobenzoic acid methyl ester
• Synonyms: 3-bromomethyl-4-cyanobenzoic acid methyl ester
• CAS NO: 908562-25-4
• Molecular Formula: C₁₀H₈BrNO₂
• Molecular Weight: 254.08002
• Mol File: 908562-25-4.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 368.7°C at 760 mmHg
• Flash Point: 176.8°C
• Appearance: /
• Density: 1.53
• Vapor Pressure: 1.25E-05mmHg at 25°C
• Refractive Index: 1.575
• CAS DataBase Reference: 3-bromomethyl-4-cyanobenzoic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 3-bromomethyl-4-cyanobenzoic acid methyl ester(908562-25-4)
• EPA Substance Registry System: 3-bromomethyl-4-cyanobenzoic acid methyl ester(908562-25-4)

Safety Data

• Hazardous Substances Data: 908562-25-4(Hazardous Substances Data)

Usage

General Description

3-bromomethyl-4-cyanobenzoic acid methyl ester is a chemical compound with the molecular formula C10H8BrNO2. It is a derivative of benzoic acid and contains a bromo group, a cyano group, and a methyl ester group. 3-bromomethyl-4-cyanobenzoic acid methyl ester is commonly used in organic synthesis as a building block for the production of various pharmaceuticals, agrochemicals, and materials. Its derivatives have shown potential for use as anti-cancer, anti-inflammatory, and antimicrobial agents. Additionally, it has been studied for its photophysical properties and potential applications in optoelectronic devices. The compound's unique structural features make it a versatile starting material for the development of novel organic molecules with a wide range of potential applications.

InChI:InChI=1/C10H8BrNO2/c1-14-10(13)7-2-3-8(6-12)9(4-7)5-11/h2-4H,5H2,1H3

Upstream product

• 25978-68-1 methyl 4-cyano-3-methylbenzoate 

Downstream Products

• 1187237-94-0 C₉H₆BrNO₂ 
• 1187238-31-8 C₉H₇NO₃ 

Relevant articles and documents

Discovery of novel ketoxime ether derivatives with potent FXR agonistic activity, oral effectiveness and high liver/blood ratio

The farnesoid X receptor (FXR) is a promising therapeutic target for nonalcoholic steatohepatitis (NASH) and other bile acid related diseases because it plays a critical role in fibrosis, inflammation and bile acid homeostasis. Obeticholic acid (OCA), a FXR agonist which was synthesized from chenodeoxycholic acid, showed desirable curative effects in clinical trials. However, the pruritus which was the main side effect of OCA limited its further applications in NASH. Although pruritus was also observed in the clinical trials of non-steroidal FXR agonists, the proportion of patients with pruritus was much smaller than that of OCA. Thus, we decided to develop non-steroidal FXR agonists and discovered a series of novel FXR agonists which were synthesized from GW4064 by replacing the stilbene group with ketoxime ether. Encouragingly, in the following biological tests, our target compounds 13j and 13z not only showed potent FXR agonistic activities in vitro, but also effectively promoted the expression of target genes in vivo. More importantly, in the pharmacokinetic experiments, compounds 13j and 13z displayed high liver/blood ratio characteristics which were helpful to reduce the potential side effects which were caused by prolonged systemic activation of FXR. In summary, our compounds were good choices for the development of non-steroidal FXR agonists and were deserved further investigation.

Indenoisoquinolinone analogs and methods of use thereof

The present invention relates to Indenoisoquinolinone Analogs, compositions comprising an effective amount of an Indenoisoquinolinone Analog and methods for treating or preventing an inflammatory disease, a reperfusion injury, diabetes mellitus, a diabetic complication, reoxygenation injury resulting from organ transplantation, an ischemic condition, a neurodegenerative disease, renal failure, a vascular disease, a cardiovascular disease, cancer, a complication of prematurity, cardiomyopathy, retinopathy, nephropathy, neuropathy, erectile dysfunction or urinary incontinence, comprising administering to a subject in need thereof an effective amount of an Indenoisoquinolinone Analog.