1221443-94-2

Basic information

• Product Name: (R)-1-(7-chloro-2,2-bis(fluoromethyl)-chroman-4-yl)-3-(3-methylisoquinolin-5-yl)urea
• CAS NO: 1221443-94-2
• Molecular Weight: 431.87
• Mol File: 1221443-94-2.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 574.4±50.0 °C(Predicted)
• Density: 1.38±0.1 g/cm3(Predicted)
• CAS DataBase Reference: (R)-1-(7-chloro-2,2-bis(fluoromethyl)-chroman-4-yl)-3-(3-methylisoquinolin-5-yl)urea(CAS DataBase Reference)
• NIST Chemistry Reference: (R)-1-(7-chloro-2,2-bis(fluoromethyl)-chroman-4-yl)-3-(3-methylisoquinolin-5-yl)urea(1221443-94-2)
• EPA Substance Registry System: (R)-1-(7-chloro-2,2-bis(fluoromethyl)-chroman-4-yl)-3-(3-methylisoquinolin-5-yl)urea(1221443-94-2)

Safety Data

• Hazardous Substances Data: 1221443-94-2(Hazardous Substances Data)

Usage

General Description

The chemical compound "(R)-1-(7-chloro-2,2-bis(fluoromethyl)-chroman-4-yl)-3-(3-methylisoquinolin-5-yl)urea" is a complex organic molecule with a specific stereochemical arrangement. It contains a chroman-4-yl group, which is a type of benzopyran derivative, as well as a 3-(3-methylisoquinolin-5-yl)urea group. (R)-1-(7-chloro-2,2-bis(fluoromethyl)-chroman-4-yl)-3-(3-methylisoquinolin-5-yl)urea likely has potential biological activity due to its structural features, and may have applications in medicinal chemistry or as a research tool in the study of biochemical processes. Its precise mechanism of action and potential uses would need to be investigated through further research and experimentation.

Upstream product

• 1221443-98-6 (R)-7-chloro-2,2-bis(fluoromethyl)chroman-4-aminium (2S,3S)-3-carboxy-2,3-dihydroxypropanoate 
• 54410-17-2 3-methyl-isoquinolin-5-ylamine 
• 1221443-96-4 (S)-7-chloro-2,2-bis(fluoromethyl)chroman-4-ol 
• 18222-17-8 3-methyl-5-nitro-isoquinoline 
• 1125-80-0 3-methylisoquinoline 
• 60912-31-4 benzyl-(2,2-dimethoxy-1-methyl-ethyl)-amine 
• 100-46-9 benzylamine 
• 1537171-71-3 (R)-7-chloro-2,2-bis(fluoromethyl)-chroman-4-aminium chloride 
• 1537171-69-9 (R)-N-((R)-7-chloro-2,2-bis(fluoro-methyl)chroman-4-yl)-2-methylpropane-2-sulfinamide 
• 1221443-95-3 7-chloro-2,2-bis(fluoromethyl)-chroman-4-one 
• 1537171-67-7 1-(4-chloro-2-hydroxyphenyl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutan-1-one 
• 6921-66-0 4-chloro-2-hydroxy acetophenone 
• 1537171-73-5 (R)-7-chloro-2,2-bis(fluoromethyl)-chroman-4-amine (S)-5-oxopyrrolidine-2-carboxylate 
• 1885-14-9 phenyl chloroformate 

Relevant articles and documents

Discovery of (R)-1-(7-chloro-2,2-bis(fluoromethyl)chroman-4-yl)-3-(3-methylisoquinolin-5-yl)urea (a-1165442): A temperature-neutral transient receptor potential vanilloid-1 (trpv1) antagonist with analgesic efficacy

The synthesis and characterization of a series of selective, orally bioavailable 1-(chroman-4-yl)urea TRPV1 antagonists is described. Whereas first-generation antagonists that inhibit all modes of TRPV1 activation can elicit hyperthermia, the compounds disclosed herein do not elevate core body temperature in preclinical models and only partially block acid activation of TRPV1. Advancing the SAR of this series led to the eventual identification of (R)-1-(7-chloro-2,2-bis(fluoromethyl)chroman-4-yl)-3-(3-methylisoquinolin-5-yl)urea (A-1165442, 52), an analogue that possesses excellent pharmacological selectivity, has a favorable pharmacokinetic profile, and demonstrates good efficacy against osteoarthritis pain in rodents.

TRPV1 ANTAGONISTS

Disclosed herein are compounds of Formula (I), or pharmaceutically acceptable salts, solvates, prodrugs, salts of prodrugs, or combinations thereof, wherein R1, R2, R3, R4, and m are defined in the specification. Compositions comprising such compounds and methods for treating conditions and disorders using such compounds and compositions are also disclosed.