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

Description

(R)-1-(7-chloro-2,2-bis(fluoromethyl)-chroman-4-yl)-3-(3-methylisoquinolin-5-yl)urea is a complex organic molecule characterized by its specific stereochemistry and the presence of a chroman-4-yl group, a benzopyran derivative, and 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 is likely to possess significant biological activity due to its structural features, which may make it a candidate for applications in medicinal chemistry and as a research tool for studying biochemical processes. Further research and experimentation are required to determine its precise mechanism of action and potential uses.

Uses

Used in Medicinal Chemistry:
(R)-1-(7-chloro-2,2-bis(fluoromethyl)-chroman-4-yl)-3-(3-methylisoquinolin-5-yl)urea is used as a potential therapeutic agent for various medical conditions due to its complex structure and possible biological activity. Its specific stereochemistry and functional groups may allow it to interact with biological targets in a unique manner, offering new avenues for treatment.
Used in Research and Development:
In the field of biochemical research, (R)-1-(7-chloro-2,2-bis(fluoromethyl)-chroman-4-yl)-3-(3-methylisoquinolin-5-yl)urea serves as a valuable tool for studying the mechanisms of various biological processes. Its structural features may provide insights into the interactions between molecules and their targets, contributing to the advancement of our understanding of these processes.
Used in Pharmaceutical Industry:
Within the pharmaceutical industry, (R)-1-(7-chloro-2,2-bis(fluoromethyl)-chroman-4-yl)-3-(3-methylisoquinolin-5-yl)urea is used as a lead compound for the development of new drugs. Its unique structure and potential biological activity make it a promising candidate for further optimization and development into effective therapeutics.
Used in Drug Design and Optimization:
(R)-1-(7-chloro-2,2-bis(fluoromethyl)-chroman-4-yl)-3-(3-methylisoquinolin-5-yl)urea is utilized in the process of drug design and optimization, where its structural features can be modified to improve its pharmacological properties, such as potency, selectivity, and bioavailability. (R)-1-(7-chloro-2,2-bis(fluoromethyl)-chroman-4-yl)-3-(3-methylisoquinolin-5-yl)urea may serve as a starting point for the development of novel drugs with improved therapeutic profiles.

Upstream product

• 54410-17-2 3-methyl-isoquinolin-5-ylamine 
• 1221443-98-6 (R)-7-chloro-2,2-bis(fluoromethyl)chroman-4-aminium (2S,3S)-3-carboxy-2,3-dihydroxypropanoate 
• 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.