85426-79-5

Basic information

• Product Name: 4-CHLORO-6-(METHYLTHIO)-1H-PYRAZOLO[3,4-D]PYRIMIDINE
• Synonyms: 4-CHLORO-6-(METHYLTHIO)-1H-PYRAZOLO[3,4-D]PYRIMIDINE;5-chloro-3-methylsulfanyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,10-t etraene;4-Chloro-6-(methylthio)
• CAS NO: 85426-79-5
• Molecular Formula: C₆H₅ClN₄S
• Molecular Weight: 200.65
• EINECS: 200-258-5
• Mol File: 85426-79-5.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 454.4°C at 760 mmHg
• Flash Point: 228.6°C
• Appearance: /
• Density: 1.61g/cm³
• Vapor Pressure: 5.15E-08mmHg at 25°C
• Refractive Index: 1.722
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• CAS DataBase Reference: 4-CHLORO-6-(METHYLTHIO)-1H-PYRAZOLO[3,4-D]PYRIMIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-CHLORO-6-(METHYLTHIO)-1H-PYRAZOLO[3,4-D]PYRIMIDINE(85426-79-5)
• EPA Substance Registry System: 4-CHLORO-6-(METHYLTHIO)-1H-PYRAZOLO[3,4-D]PYRIMIDINE(85426-79-5)

Safety Data

• Hazardous Substances Data: 85426-79-5(Hazardous Substances Data)

Usage

General Description

4-CHLORO-6-(METHYLTHIO)-1H-PYRAZOLO[3,4-D]PYRIMIDINE is a chemical compound with the molecular formula C7H6ClN5S. It is a pyrazolo-pyrimidine derivative with a chlorine atom and a methylthio group attached to the pyrazole ring. 4-CHLORO-6-(METHYLTHIO)-1H-PYRAZOLO[3,4-D]PYRIMIDINE has potential pharmaceutical applications, particularly in the field of drug development. It is also used as a building block in the synthesis of various organic compounds. Due to its unique structure and properties, 4-CHLORO-6-(METHYLTHIO)-1H-PYRAZOLO[3,4-D]PYRIMIDINE is of interest to researchers and chemists in the pharmaceutical and organic synthesis industries.

InChI:InChI=1/C6H5ClN4S/c1-12-6-9-4(7)3-2-8-11-5(3)10-6/h2H,1H3,(H,8,9,10,11)

Upstream product

• 5334-26-9 6-(methylthio)pyrazolo<3,4-d>pyrimidin-4(5H)-one 
• 5334-26-9 4-hydroxy-6-methylmercapto-1H-pyrazolo[3,4-d]pyrimidine 
• 24521-76-4 4-hydroxy-6-mercapto-1H-pyrazolo[3,4-d]pyrimidine 
• 24521-76-4 6-thioxo-1,5,6,7-tetrahydropyrazolo<3,4-d>pyrimidin-4-one 
• 33097-11-9 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxyaldehyde 
• 1979-98-2 4,6-dihydroxy-2-methylmercaptopyrimidine 

Downstream Products

• 5444-29-1 6-methylsulfanyl-1⁽²⁾H-pyrazolo[3,4-d]pyrimidin-4-ylamine 
• 55084-74-7 6-methylsulfanyl-1⁽²⁾H-pyrazolo[3,4-d]pyrimidine 
• 594865-24-4 (3-fluoro-phenyl)-(6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine 
• 594865-03-9 (6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-(4-nitro-benzyl)-amine 
• 594865-25-5 (3-methoxy-phenyl)-(6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine 
• 594865-02-8 benzyl-(6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine 
• 594865-23-3 (3-bromo-phenyl)-(6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine 
• 917482-90-7 2-[2-deoxy-3,5-di-O-(p-toluoyl)-β-D-erythro-pentofuranosyl]-6-methylthio-4-isopropoxy-2H-pyrazolo[3,4-d]pyrimidine 
• 917482-89-4 1-[2-deoxy-3,5-di-O-(p-toluoyl)-β-D-erythro-pentofuranosyl]-6-methylthio-4-isopropoxy-1H-pyrazolo[3,4-d]pyrimidine 
• 917482-96-3 1-[2-deoxy-5-O-(4,4'-dimethoxytriphenylmethyl)-β-D-erythro-pentofuranosyl]-4-{[(dimethylamino)ethylidene]amino}-6-methylthio-1H-pyrazolo[3,4-d]pyrimidine 
• 917482-99-6 2-[2-deoxy-5-O-(4,4'-dimethoxytriphenylmethyl)-β-D-erythro-pentofuranosyl]-4-{[isobutyryl]amino}-6-methylthio-2H-pyrazolo[3,4-d]pyrimidine 
• 594865-04-0 benzyl-(1-methyl-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine 
• 594865-30-2 (3-methoxy-phenyl)-(1-methyl-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine 
• 594865-28-8 (3-fluoro-phenyl)-(1-methyl-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine 

Relevant articles and documents

NEW PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING

New pyrimidine derivatives together with a membrane penetrating agent, optionally with a detectable isotope and pharmaceutical composition for use in treatment or prevention of Gram-negative bacterial infection in a host mammal in need of such treatment or prevention and use as inhibitors of Gram-negative biofilm formation on a surface of biomaterial or medical device, particularly of cardiovascular device such as prosthetic heart valve or pacemakers. New pyrimidine derivatives together with a membrane penetrating agent; for use as radiotracer in diagnosing or prognosing Gram-negative bacterial infection in a host mammal.

Exploring the chemical space around the privileged pyrazolo[3,4-d] pyrimidine scaffold: Toward novel allosteric inhibitors of T315I-mutated Abl

A library of pyrazolo[3,4-d]pyrimidines, endowed with a high level of molecular diversity, has been developed applying a synthetic sequence that allowed C3, N1, C4, and C6 substitution. The enzymatic screening of this "privileged scaffold"-based compound collection, validated the use of a diversity-oriented approach in a field characteristically explored by target-oriented synthesis. In fact, several compounds showed high activity against the selected kinases (i.e., Src, Abl wt, and T315I mutated-form), furthermore and interestingly a new compound has emerged as an allosteric inhibitor of the T315I mutated-form of Abl, opening up new opportunities for the development of a novel class of noncompetitive inhibitors of Abl (T315I).

Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same

Compounds of the formula Ia or Ib: wherein A, B, X, Y, Z, W, k, R1, R2, R3, R4 and R5 are those defined herein, and compositions comprising the same. The present invention also provides methods for pr