14631-08-4

Basic information

• Product Name: 2-CHLORO-4,5-DIAMINOPYRIMIDINE
• Synonyms: IFLAB-BB F1371-0155;2-CHLOROPYRIMIDINE-4,5-DIAMINE;2-CHLORO-4,5-DIAMINOPYRIMIDINE;4,5-DIAMINO-2-CHLOROPYRIMIDINE;4,5-Pyrimidinediamine, 2-chloro- (9CI);2-CHLORO-4,5-DIAMONOPYRIMIDINE;(4-amino-2-chloro-pyrimidin-5-yl)amine;6-Chloro-2,3-PyriMidinediaMine
• CAS NO: 14631-08-4
• Molecular Formula: C₄H₅ClN₄
• Molecular Weight: 144.56
• EINECS: 238-672-4
• Product Categories: PYRIMIDINE;APIs & Intermediate;pharmacetical;Building Blocks;Heterocycle-Pyrimidine series
• Mol File: 14631-08-4.mol
• Article Data: 4

Chemical Properties

• Melting Point: 220 °C (decomp)
• Boiling Point: 417.9 °C at 760 mmHg
• Flash Point: 206.5 °C
• Appearance: /
• Density: 1.564 g/cm³
• Vapor Pressure: 3.43E-07mmHg at 25°C
• Refractive Index: 1.702
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 3.61±0.10(Predicted)
• CAS DataBase Reference: 2-CHLORO-4,5-DIAMINOPYRIMIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CHLORO-4,5-DIAMINOPYRIMIDINE(14631-08-4)
• EPA Substance Registry System: 2-CHLORO-4,5-DIAMINOPYRIMIDINE(14631-08-4)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36-43
• Safety Statements: 26-36/37
• Hazardous Substances Data: 14631-08-4(Hazardous Substances Data)

Usage

General Description

2-Chloro-4,5-diaminopyrimidine is a chemical compound with the molecular formula C4H5ClN4. It is a derivative of the pyrimidine nucleotide and has a chlorine atom at the 2-position and amino groups at the 4- and 5-positions. 2-CHLORO-4,5-DIAMINOPYRIMIDINE is often used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. Its properties make it useful in the development of antiviral, antibacterial, and antifungal agents. Additionally, 2-Chloro-4,5-diaminopyrimidine is also utilized in the manufacturing of dyes and pigments, as well as in the production of other organic compounds. Overall, this chemical plays a crucial role in various industries and has many potential applications in both medicinal and industrial contexts.

InChI:InChI=1/C4H5ClN4/c5-4-8-1-2(6)3(7)9-4/h1H,6H2,(H2,7,8,9)

Upstream product

• 1920-66-7 4-amino-2-chloro-5-nitropyrimidine 

Downstream Products

• 1073560-13-0 N-(4-amino-2-chloro-5-pyrimidinyl)-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide 
• 1073560-12-9 N-(5-amino-2-chloro-4-pyrimidinyl)-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide 
• 99446-17-0 8-(2-methoxy-4-benzyloxy-phenyl)-2-chloro-purine 
• 1006879-02-2 2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyrimidine-4,5-diamine 
• 1006878-99-4 2-{4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl}pyrimidine-4,5-diamine 
• 1681-15-8 2-chloro-7H-purine 
• 14159-38-7 2-Chlor-pteridin 
• 37432-21-6 2-dimethylaminopurine 
• 106823-72-7 5-benzylideneamino-2-chloropyrimidin-4-amine 
• 1681-15-8 2-chloro-9H-purine 
• 13754-19-3 4,5-pyrimidinediamine 

Relevant articles and documents

Design, synthesis, antitumor activity and theoretical calculation of novel PI3Ka inhibitors

PI3Kα has been identified as an ideal target to treat with PIK3CA gene mutation disease, including drugs such as Alpelisib and Copanlisib. Five purine analogues and four thiazole analogues were designed and synthesized. Their enzymatic activity against PI3Ka/β/γ/δ were tested, respectively. All compounds showed excellent selectivity in modulating PI3Ka activity, and parts of the compounds showed good inhibition. Meanwhile, we used Autodock 4.2 to explore the binding mode of the most potential compound Tg with the target protein. In addition, DFT was used to calculate the HOMO-LUMO maps of the compounds Tf, Tg and positive control. This paper will provide some useful information for further drug design of PI3Kα inhibitors.

FUSED-BICYCLIC ARYL QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS

The invention relates to inhibitors of mutant isocitrate dehydrogenase (mt-IDH) proteins with neomorphic activity useful in the treatment of cell-proliferation disorders and cancers, having the Formula (I) where A, B, U, V, Z, W1, W2, W3, and R1-R6 are described herein.