900174-91-6

Basic information

• Product Name: Benzenemethanamine, 4-amino-2-fluoro- (9CI)
• Synonyms: Benzenemethanamine, 4-amino-2-fluoro- (9CI);4-(Aminomethyl)-3-fluoroaniline;4-Aminomethyl-3-fluoro-phenylamine
• CAS NO: 900174-91-6
• Molecular Formula: C₇H₉FN₂
• Molecular Weight: 140.1581632
• Product Categories: VARIOUSAMINE
• Mol File: 900174-91-6.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Benzenemethanamine, 4-amino-2-fluoro- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenemethanamine, 4-amino-2-fluoro- (9CI)(900174-91-6)
• EPA Substance Registry System: Benzenemethanamine, 4-amino-2-fluoro- (9CI)(900174-91-6)

Safety Data

• Hazardous Substances Data: 900174-91-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C7H9FN2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,4,9-10H2

Upstream product

• 53312-80-4 4-amino-2-fluorobenzonitrile 
• 34667-88-4 2-fluoro-4-nitrobenzonitrile 

Downstream Products

• 900174-92-7 (4-Amino-2-fluoro-benzyl)-carbamic acid tert-butyl ester 

Relevant articles and documents

Second-Generation Dual FXR/sEH Modulators with Optimized Pharmacokinetics

Non-alcoholic steatohepatitis (NASH) presents as an epidemic chronic liver disease that is closely associated with metabolic disorders and involves hepatic steatosis, inflammation, and fibrosis as key factors. Despite the enormous global prevalence of NASH, effective pharmacological interventions are lacking. Based on the hypothesis that the multifactorial condition NASH may benefit from combined multiple modes of action for enhanced therapeutic efficacy, we have previously developed dual FXR activators/sEH inhibitors (FXRa/sEHi) and observed remarkable antifibrotic effects upon their use in rodent NASH models. However, these first-generation FXRa/sEHi were characterized by moderate metabolic stability and short in vivo half-life. Aiming to overcome these pharmacokinetic drawbacks, we have systematically studied the structure-activity and structure-stability relationships of the chemotype and obtained second-generation FXRa/sEHi with improved pharmacokinetic parameters. With high plasma exposure, a half-life greater than 5 h, and similar dual potency on the intended targets, 13 presents as a substantially optimized FXRa/sEHi for late-stage preclinical development.