863028-98-2

Basic information

• Product Name: 4-(METHYLAMINO)-2-(METHYLTHIO)-5-PYRIMIDINECARBOXYLIC ACID
• Synonyms: 4-(METHYLAMINO)-2-(METHYLTHIO)-5-PYRIMIDINECARBOXYLIC ACID
• CAS NO: 863028-98-2
• Molecular Formula: C₇H₉N₃O₂S
• Molecular Weight: 199.23
• Mol File: 863028-98-2.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 427.5°C at 760 mmHg
• Flash Point: 212.3°C
• Appearance: /
• Density: 1.41g/cm³
• Vapor Pressure: 4.55E-08mmHg at 25°C
• Refractive Index: 1.621
• PKA: 1.23±0.36(Predicted)
• CAS DataBase Reference: 4-(METHYLAMINO)-2-(METHYLTHIO)-5-PYRIMIDINECARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(METHYLAMINO)-2-(METHYLTHIO)-5-PYRIMIDINECARBOXYLIC ACID(863028-98-2)
• EPA Substance Registry System: 4-(METHYLAMINO)-2-(METHYLTHIO)-5-PYRIMIDINECARBOXYLIC ACID(863028-98-2)

Safety Data

• Hazardous Substances Data: 863028-98-2(Hazardous Substances Data)

Usage

General Description

4-(Methylamino)-2-(methylthio)-5-pyrimidinecarboxylic acid is a chemical compound with the molecular formula C9H10N4O2S. It is a pyrimidine derivative with a carboxylic acid group, and its structure contains both an amino and a thiol group. 4-(METHYLAMINO)-2-(METHYLTHIO)-5-PYRIMIDINECARBOXYLIC ACID may have pharmaceutical applications due to its potential for interacting with biological systems as a pyrimidine derivative. Additionally, it may have industrial uses in the synthesis of other compounds. However, further research is needed to fully understand its potential uses and effects.

InChI:InChI=1/C7H9N3O2S/c1-8-5-4(6(11)12)3-9-7(10-5)13-2/h3H,1-2H3,(H,11,12)(H,8,9,10)

Upstream product

• 76360-82-2 4-methylamino-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester 
• 5909-24-0 4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester 

Relevant articles and documents

Discovery of 2-((3-Acrylamido-4-methylphenyl)amino)-N-(2-methyl-5-(3,4,5-trimethoxybenzamido)phenyl)-4-(methylamino)pyrimidine-5-carboxamide (CHMFL-BMX-078) as a Highly Potent and Selective Type II Irreversible Bone Marrow Kinase in the X Chromosome (BMX) Kinase Inhibitor

BMX is a member of TEC family nonreceptor tyrosine kinase and is involved in a variety of critical physiological and pathological processes. Through combination of irreversible inhibitor design and type II inhibitor design approaches, we have discovered a highly selective and potent type II irreversible BMX kinase inhibitor compound 41 (CHMFL-BMX-078), which exhibited an IC50 of 11 nM by formation of a covalent bond with cysteine 496 residue in the DFG-out inactive conformation of BMX. It displayed a high selectivity profile (S score(1) = 0.01) against the 468 kinases/mutants in the KINOMEscan evaluation and achieved at least 40-fold selectivity over BTK kinase. Given the fact that BMX mediated signaling pathway is still not fully understood, compound 41 would serve as a useful pharmacological tool to elucidate the detailed mechanism of BMX mediated signaling pathways.

PHARMACEUTICAL COMPOUNDS

The present invention relates to compounds that are useful as inhibitors of the activity of Wee-1 kinase. The present invention also relates to pharmaceutical compositions comprising these compounds and to methods of using these compounds in the treatment of cancer and methods of treating cancer.