181363-06-4

Basic information

• Product Name: Pyrimidine, 4-(bromomethyl)-2-chloro- (9CI)
• Synonyms: Pyrimidine, 4-(bromomethyl)-2-chloro- (9CI);Pyrimidine,4-(bromomethyl)-2-chloro-;4-(Bromomethyl)pyrimidine
• CAS NO: 181363-06-4
• Molecular Formula: C₅H₄BrClN₂
• Molecular Weight: 207.45566
• Product Categories: PYRIMIDINE
• Mol File: 181363-06-4.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 315.3 °C at 760 mmHg
• Flash Point: 144.5 °C
• Appearance: /
• Density: 1.768
• Vapor Pressure: 0.000814mmHg at 25°C
• Refractive Index: 1.597
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: Pyrimidine, 4-(bromomethyl)-2-chloro- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Pyrimidine, 4-(bromomethyl)-2-chloro- (9CI)(181363-06-4)
• EPA Substance Registry System: Pyrimidine, 4-(bromomethyl)-2-chloro- (9CI)(181363-06-4)

Safety Data

• Hazardous Substances Data: 181363-06-4(Hazardous Substances Data)

Usage

General Description

Pyrimidine, 4-(bromomethyl)-2-chloro- (9CI) is a chemical compound that contains a pyrimidine ring with a bromomethyl and chloro group attached to it. It is used in the pharmaceutical industry as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. Pyrimidine, 4-(bromomethyl)-2-chloro- (9CI) is also used in the development of new therapeutic agents, as well as in organic and medicinal chemistry research. Its unique structure and reactivity make it a valuable building block for creating new and innovative chemical structures with potential biological activity. However, it should be handled with care as it may have hazardous properties.

InChI:InChI=1/C5H4BrClN2/c6-3-4-1-2-8-5(7)9-4/h1-2H,3H2

Upstream product

• 13036-57-2 2-chloro-4-methylpyrimidine 
• 34953-87-2 (2-chloropyrimindin-4-yl)methanol 
• 149849-94-5 methyl 2,6-dichloropyrimidine-4-carboxylate 

Relevant articles and documents

MCL1 INHIBITORS AND USES THEREOF

The present disclosure provides compounds, such as compounds of Formula I, and compositions that are MCL1 inhibitors.

Design, synthesis, and structure-activity-relationship of a novel series of CXCR4 antagonists

The important roles of the CXCL12/CXCR4 axis in numerous pathogenic pathways involving HIV infection and cancer metastasis make the CXCR4 receptor an attractive target for the development of therapeutic agents. Through scaffold hybridization of a few known CXCR4 antagonists, a series of novel aminopyrimidine derivatives was developed. Compound 3 from this new scaffold demonstrates excellent binding affinity with CXCR4 receptor (IC50 = 54 nM) and inhibits CXCL12 induced cytosolic calcium increase (IC50 = 2.3 nM). Furthermore, compound 3 possesses good physicochemical properties (MW 353, clogP 2.0, PSA 48, pKa 6.7) and exhibits minimal hERG and CYP isozyme (e.g. 3A4, 2D6) inhibition. Collectively, these results strongly support further optimization of this novel scaffold to develop better CXCR4 antagonists.