1242156-55-3

Basic information

• Product Name: 2-(3-chloro-2-(hydroxymethyl)phenyl)-6-cyclopropyl-8-fluoroisoquinoline-1(2H)-one
• Synonyms: 2-(3-chloro-2-(hydroxymethyl)phenyl)-6-cyclopropyl-8-fluoroisoquinoline-1(2H)-one
• CAS NO: 1242156-55-3
• Molecular Weight: 343.785
• Mol File: 1242156-55-3.mol
• Article Data: 7

Chemical Properties

• CAS DataBase Reference: 2-(3-chloro-2-(hydroxymethyl)phenyl)-6-cyclopropyl-8-fluoroisoquinoline-1(2H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(3-chloro-2-(hydroxymethyl)phenyl)-6-cyclopropyl-8-fluoroisoquinoline-1(2H)-one(1242156-55-3)
• EPA Substance Registry System: 2-(3-chloro-2-(hydroxymethyl)phenyl)-6-cyclopropyl-8-fluoroisoquinoline-1(2H)-one(1242156-55-3)

Safety Data

• Hazardous Substances Data: 1242156-55-3(Hazardous Substances Data)

Usage

Chemical class

Isoquinoline derivative
The compound belongs to a class of chemical structures based on the isoquinoline core.

Fluoroisoquinoline core

Structural basis
The central structure of the compound is based on a fluorinated isoquinoline, which provides the basis for its chemical properties and potential applications.

Chloro functional group

Halogen substitution
A chlorine atom is attached to the phenyl ring, contributing to the compound's reactivity and properties.

Hydroxymethyl functional group

Hydrophilic character
The presence of a hydroxymethyl group introduces hydrophilicity and potential hydrogen bonding capabilities to the compound.

Phenyl ring

Aromatic character
The phenyl ring contributes to the compound's stability and aromatic character, which can influence its biological activity and interactions with other molecules.

Cyclopropyl ring

Structural constraint and unique properties
The cyclopropyl ring introduces a three-membered cyclic structure, which can affect the compound's conformation, reactivity, and potential applications in drug discovery.

Pharmaceutical applications

Potential for biological activity
Due to its structural complexity and the presence of various functional groups, the compound may exhibit biological activity and could be further studied for pharmaceutical applications.

Drug discovery and development

Target for investigation
The combination of the cyclopropyl and fluoro groups, along with the chloro and hydroxymethyl substitutions, make this compound an intriguing candidate for further research in drug discovery and development.

Upstream product

• 64622-16-8 2-bromo-6-chlorobenzaldehyde 
• 1242157-14-7 5-bromo-7-fluoro-2,3-dihydro-1H-inden-1-one 
• 395639-63-1 1-(4-bromo-2-fluorophenyl)-3-chloro-propan-1-one 
• 151982-51-3 4-bromo-2-fluorobenzoyl chloride 
• 1242156-52-0 4-cyclopropyl-2-fluoro-6-methylbenzamide 
• 1242156-51-9 4-bromo-2-fluoro-6-methylbenzamide 
• 1242157-23-8 4-bromo-2-fluoro-6-methylbenzoic acid 
• 1242157-16-9 6-cyclopropyl-8-fluoro-3,4-dihydroisoquinolin-1(2H)-one 
• 1242157-15-8 6-bromo-8-fluoro-3,4-dihydroisoquinolin-1(2H)-one 
• 1242156-54-2 2-chloro-6-(6-cyclopropyl-8-fluoro-1-oxoisoquinolin-2 (1H)-yl)benzaldehyde 

Downstream Products

• 1242156-23-5 6-cyclopropyl-8-fluoro-2-(2-hydroxymethyl-3-{1-methyl-5-[5-(4-methyl-piperazin-1-yl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-2H-isoquinolin-1-one 
• 1242157-65-8 6-cyclopropyl-2-(3-{5-[5-(4-ethylpiperazin-1-yl)pyridin-2-ylamino]-1-methyl-6-oxo-1,6-dihydropyridin-3-yl}-2-hydroxymethylphenyl)-8-fluoro-2H-isoquinolin-1-one 

Relevant articles and documents

Design and synthesis of novel pyrimidine analogs as highly selective, non-covalent BTK inhibitors

BTK is a promising target for the treatment of multiple diseases such as B cell malignances, asthma, and rheumatoid arthritis. Here, we report the discovery of a series of novel pyrimidine analogs as potent, highly selective, non-covalent inhibitors of BTK. Compound 25d demonstrated higher affinity to an unactivated conformation of BTK that resulted in an excellent kinase selectivity. Compound 25d showed a good oral bioavailability in mice, and significantly inhibits the PCA reaction in mice.

NOVEL TRIAZINE DERIVATIVE

The purpose of the present invention is to provide a novel triazine derivative of the formula (I): wherein R1 represents a substituted or unsubstituted lower alkyl group,R2 represents a hydrogen atom or a substituted or unsubstituted lower alkyl group,A represents a nitrogen atom or C—R3,R3 represents a hydrogen atom, a cyano group, a substituted or unsubstituted acyl group, a substituted or unsubstituted sulfonyl group, or a substituted or unsubstituted carbamoyl group, andR4 represents a substituted or unsubstituted lower alkyl group,or a substituted or unsubstituted cycloalkyl group,or a pharmaceutically acceptable salt thereof.

NOVEL 2,6-DIAMINOPYRIMIDINE DERIVATIVE

To provide a novel 2,6-diaminopyrimidine derivative by the following formula (I): A 2,6-diaminopyrimidine derivative is represented by the formula (I): wherein R1 represents a substituted or unsubstituted lower alkyl group, or a substituted or unsubstituted alkoxy group, Ar represents a substituted or unsubstituted aryl group, or a substituted or unsubstituted heteroaryl group, Z1 and Z2 represent carbon atoms, or either 1 or 2 of the Z1 and Z2 represent nitrogen atoms, Q is selected from a structure (a) or (b) described below: R2 represents a substituted or unsubstituted lower alkyl group, or a substituted or unsubstituted cycloalkyl group, R3 represents a hydrogen atom or a halogen atom, Y represents a nitrogen atom or a carbon atom, and the bond drawn with a dotted line parallel to a solid line on structure (a) represents either double bond or single bond.