54410-17-2

Basic information

• Product Name: 3-METHYLISOQUINOLIN-5-AMINE
• Synonyms: 3-METHYLISOQUINOLIN-5-AMINE;5-AMINO-3-METHYLISOQUINOLINE;3-Methyl-5-aMinoisoquinoline;3-methylisoquinolin-5-amine(WXC08423)
• CAS NO: 54410-17-2
• Molecular Formula: C₁₀H₁₀N₂
• Molecular Weight: 158.2
• Mol File: 54410-17-2.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 334.212°C at 760 mmHg
• Flash Point: 182.39°C
• Appearance: /
• Density: 1.169g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.682
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3-METHYLISOQUINOLIN-5-AMINE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-METHYLISOQUINOLIN-5-AMINE(54410-17-2)
• EPA Substance Registry System: 3-METHYLISOQUINOLIN-5-AMINE(54410-17-2)

Safety Data

• Hazardous Substances Data: 54410-17-2(Hazardous Substances Data)

Usage

General Description

3-Methylisoquinolin-5-amine is a chemical compound with the molecular formula C10H10N2. It is a derivative of isoquinoline and belongs to the class of aromatic amines. 3-METHYLISOQUINOLIN-5-AMINE is used in the synthesis of various pharmaceuticals and organic compounds. It is known for its role in the production of heterocyclic compounds, which are widely used in medicinal chemistry. Its structure and properties make it a valuable building block for the creation of new drugs and other biologically active molecules. Additionally, it has potential applications in the development of new materials and as a reagent in organic chemical reactions.

InChI:InChI=1/C10H10N2/c1-7-5-9-8(6-12-7)3-2-4-10(9)11/h2-6H,11H2,1H3

Upstream product

• 60912-31-4 benzyl-(2,2-dimethoxy-1-methyl-ethyl)-amine 
• 100-46-9 benzylamine 
• 1125-80-0 3-methylisoquinoline 
• 18222-17-8 3-methyl-5-nitro-isoquinoline 

Downstream Products

• 1221443-94-2 (R)-1-(7-chloro-2,2-bis(fluoromethyl)-chroman-4-yl)-3-(3-methylisoquinolin-5-yl)urea 
• 581811-55-4 N-(3-chlorobenzyl)-N'-(3-methyl-5-isoquinolinyl)urea 
• 16552-67-3 5-Brom-3-methyl-isochinolin 
• 852241-31-7 N-(4-isopropylbenzyl)-N'-(3-methyl-5-isoquinolinyl)urea hydrochloride 
• 581811-47-4 N-[3-fluoro-4-(trifluoromethyl)benzyl]-N'-(3-methyl-5-isoquinolinyl)urea 
• 581811-53-2 N-(2,4-dichlorobenzyl)-N'-(3-methyl-5-isoquinolinyl)urea 
• 581811-51-0 N-(3,4-dichlorobenzyl)-N'-(3-methyl-5-isoquinolinyl)urea 
• 581811-10-1 N-(3-fluorobenzyl)-N'-(3-methyl-5-isoquinolinyl)urea 
• 581811-34-9 N-(3,4-dimethylbenzyl)-N'-(3-methyl-5-isoquinolinyl)urea 
• 581811-69-0 N-[4-fluoro-3-(trifluoromethyl)benzyl]-N'-(3-methyl-5-isoquinolinyl)urea 
• 581811-68-9 N-(4-isopropylbenzyl)-N'-(3-methyl-5-isoquinolinyl)urea 
• 581810-27-7 N-[(4-bromophenyl)methyl]-N'-(3-methylisoquinolin-5-yl)urea 
• 852241-32-8 N-[4-fluoro-3-(trifluoromethyl)benzyl]-N'-(3-methyl-5-isoquinolinyl)urea hydrochloride 
• 852241-26-0 N-[3-fluoro-4-(trifluoromethyl)benzyl]-N'-(3-methyl-5-isoquinolinyl)urea hydrochloride 

Relevant articles and documents

Asymmetric synthesis of a TRPV1 antagonist via tert -butanesulfinamide- directed reductive amination with a chromanone

An expedient asymmetric synthesis of TRPV1 antagonist 1 has been developed and demonstrated on multikilogram scale. The enabling route to 1 is detailed herein and characterized by the following key transformations: an aldol-cyclodehydration sequence to install the chromanone, and an auxiliary-mediated diastereoselective reductive amination.

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.

In vitro structure-activity relationship and in vivo characterization of 1-(aryl)-3-(4-(amino)benzyl)urea transient receptor potential vanilloid 1 antagonists

The synthesis and structure-activity relationship of 1-(aryl)-3-(4-(amino) benzyl)urea transient receptor potential vanilloid 1 (TRPV1) antagonists are described. A variety of cyclic amine substituents are well tolerated at the 4-position of the benzyl group on compounds containing either an isoquinoline or indazole heterocyclic core. These compounds are potent antagonists of capsaicin activation of the TRPV1 receptor in vitro. Analogues, such as compound 45, have been identified that have good in vivo activity in animal models of pain. Further optimization of 45 resulted in compound 58 with substantially improved microsome stability and oral bioavailability, as well as in vivo activity.