887584-98-7

Basic information

• Product Name: 3,4-Difluoro-5-methoxybenzoic acid
• Synonyms: 3,4-Difluoro-5-methoxybenzoic acid
• CAS NO: 887584-98-7
• Molecular Formula: C8H6F2O3
• Molecular Weight: 188.1282464
• Mol File: 887584-98-7.mol

Chemical Properties

• Boiling Point: 290.7°C at 760 mmHg
• Flash Point: 129.6°C
• Appearance: /
• Density: 1.399g/cm³
• Vapor Pressure: 0.000938mmHg at 25°C
• Refractive Index: 1.504
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3,4-Difluoro-5-methoxybenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-Difluoro-5-methoxybenzoic acid(887584-98-7)
• EPA Substance Registry System: 3,4-Difluoro-5-methoxybenzoic acid(887584-98-7)

Safety Data

• Hazardous Substances Data: 887584-98-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H6F2O3/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3H,1H3,(H,11,12)

Upstream product

• 124-38-9 carbon dioxide 
• 261762-35-0 5-bromo-1,2-difluoro-3-methoxy-benzene 

Relevant articles and documents

Development of potential preclinical candidates with promising in vitro ADME profile for the inhibition of type 1 and type 2 17β-Hydroxysteroid dehydrogenases: Design, synthesis, and biological evaluation

Estrogens are the major female sex steroid hormones, estradiol (E2) being the most potent form in humans. Disturbing the balance between E2 and its weakly active oxidized form estrone (E1) leads to diverse types of estrogen-dependent diseases such as endometriosis or osteoporosis. 17β-Hydroxysteroid dehydrogenase type 1 (17β-HSD1) catalyzes the biosynthesis of E2 by reduction of E1 while the type 2 enzyme catalyzes the reverse reaction. Thus, 17β-HSD1 and 17β-HSD2 are attractive targets for treatment of estrogen-dependent diseases. Recently, we reported the first proof-of-principle study of a 17β-HSD2 inhibitor in a bone fracture mouse model, using subcutaneous administration. In the present study, our aim was to improve the in vitro ADME profile of the most potent 17β-HSD1 and 17β-HSD2 inhibitors described so far. The optimized compounds show strong and selective inhibition of both the human enzymes and their murine orthologs. In addition, they display good metabolic stability in human liver microsomes (S9 fraction), low in vitro cytotoxicity as well as better aqueous solubility and physicochemical properties compared to the lead compounds. These achievements make the compounds eligible for testing in preclinical in vivo animal model studies on the effects of inhibition of 17β-HSD1 and 17β-HSD2.

Inhibitors of 17Beta-Hydroxysteroid Dehydrogenases Type 1 and Type 2

Provided herein are non-steroidal 17beta-hydroxysteroid dehydrogenase type 1 and type 2 (17β-HSD1 and 17β-HSD2) inhibitors, their production and use, especially for the treatment and for prophylaxis of hormone-related diseases.