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

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

Uses

Used in Pharmaceutical Industry:
2-Chloro-4,5-diaminopyrimidine is used as an intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of antiviral, antibacterial, and antifungal agents. Its unique structure allows for the creation of compounds that can target and combat a wide range of infectious diseases.
Used in Agrochemical Industry:
In the agrochemical sector, 2-Chloro-4,5-diaminopyrimidine serves as a key intermediate in the production of compounds that protect crops from viral, bacterial, and fungal infections, thereby enhancing agricultural productivity and crop protection.
Used in Dye and Pigment Manufacturing:
2-Chloro-4,5-diaminopyrimidine is utilized in the manufacturing of dyes and pigments due to its chemical properties that facilitate the creation of a broad spectrum of colors and shades, finding applications in textiles, plastics, and other industries requiring colorants.
Used in Organic Compound Production:
2-CHLORO-4,5-DIAMINOPYRIMIDINE also plays a role in the production of other organic compounds, where its reactivity and structural features are harnessed to synthesize a variety of chemical entities for different applications across various industries.

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

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

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.

BTK INHIBITOR

Provided are a series of BTK inhibitors, and specifically disclosed are a compound, pharmaceutically acceptable salt thereof, tautomer thereof or prodrug thereof represented by formula (I), (II), (III) or (IV).

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.

8-OXODIHYDROPURINE DERIVATIVE

The present invention provides a compound represented by the formula (1) or a pharmaceutically acceptable salt thereof (wherein W represents a hydrogen atom, a halogen atom, or the others; A represents an alkyl group optionally substituted by aryl group or the others, an aryl group, or the others; and one of X and Y represents a di-substituted alkylaminocarbonyl group, or the others, and the other represents a hydrogen atom, an alkyl group, an alkylcarbonyl group, or the others); a medicament or a pharmaceutical composition for treatment or prophylaxis of FAAH-related diseases such as depression, anxiety disorder or pains, comprising the compound or the like as an active ingredient; a use of the compound or the like; and a method for treatment or prophylaxis using the compound or the like.