163706-58-9

Basic information

• Product Name: (2R,3S,4R,5R)-2-(hydroxyMethyl)-5-(6-((2-(Methylthio)ethyl)aMino)-2-((3,3,3-trifluoropropyl)thio)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
• Synonyms: (2R,3S,4R,5R)-2-(hydroxyMethyl)-5-(6-((2-(Methylthio)ethyl)aMino)-2-((3,3,3-trifluoropropyl)thio)-9H-purin-9-yl)tetrahydrofuran-3,4-diol;Adenosine, N-[2-(Methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]- (9CI);N6-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((2-(methylthio)ethyl)amino)-2- ((3,3,3-trifluoropropyl)thio)-9H-purin-9-yl)tetrahydrofuran-3,4-diol N6-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine;((3aR,4R,6R,6aR)-6-(6-amino-2-((3,3,3-trifluoropropyl)thio)-9H- purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol;N-[2-(Methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]adenosine;Cangrelor Intermediate;(2R,3S,4R,5R)-2-(hydroxyMethyl)-5-(6-((2-(Methylthio)ethyl)aMino)-2-((3,3,3-trifluoropropyl)thio)-9H-purin-9-yl)
• CAS NO: 163706-58-9
• Molecular Formula: C16H22F3N5O4S2
• Molecular Weight: 469.5021896
• EINECS: 1592732-453-0
• Mol File: 163706-58-9.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 747.5±70.0 °C(Predicted)
• Appearance: /
• Density: 1.70±0.1 g/cm3(Predicted)
• Storage Temp.: 2-8°C(protect from light)
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 13.08±0.70(Predicted)
• CAS DataBase Reference: (2R,3S,4R,5R)-2-(hydroxyMethyl)-5-(6-((2-(Methylthio)ethyl)aMino)-2-((3,3,3-trifluoropropyl)thio)-9H-purin-9-yl)tetrahydrofuran-3,4-diol(CAS DataBase Reference)
• NIST Chemistry Reference: (2R,3S,4R,5R)-2-(hydroxyMethyl)-5-(6-((2-(Methylthio)ethyl)aMino)-2-((3,3,3-trifluoropropyl)thio)-9H-purin-9-yl)tetrahydrofuran-3,4-diol(163706-58-9)
• EPA Substance Registry System: (2R,3S,4R,5R)-2-(hydroxyMethyl)-5-(6-((2-(Methylthio)ethyl)aMino)-2-((3,3,3-trifluoropropyl)thio)-9H-purin-9-yl)tetrahydrofuran-3,4-diol(163706-58-9)

Safety Data

• Hazardous Substances Data: 163706-58-9(Hazardous Substances Data)

Usage

Uses

N-?[2-?(Methylthio)?ethyl]?-?2-?[(3,?3,?3-?trifluoropropyl)?thio]?-adenosine is used for developing platelet P2T receptor antagonists, which have potential applications for antithrombotic therapy.

Upstream product

• 3056-18-6 (2R,3R,4R,5R)-4-(acetyloxy)-2-[(acetyloxy)methyl]-5-(2,6-dichloro-9H-purin-9-yl)tetrahydro-3-furanyl acetate 
• 69412-76-6 3,3,3-trifluoro-propane-1-thiol 
• 16321-99-6 2-amino-6-chloro-9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)purine 
• 870-24-6 2-chloroethanamine hydrochloride 
• 5188-07-8 sodium thiomethoxide 
• 156-57-0 2-mercaptoethylamine hydrochloride 
• 77-78-1 dimethyl sulfate 
• 13035-61-5 1,2,3,5-tetraacetylribose 
• 460-37-7 1,1,1-trifluoro-3-iodopropane 

Downstream Products

• 163706-06-7 cangrelor 

Relevant articles and documents

Development of a Novel and Scalable Process for the Synthesis of a Key Cangrelor Intermediate

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Cangrelor intermediate and preparation method thereof

The invention provides a preparation method of cangrelor key intermediate compound d. The target compound is prepared by subjecting a compound a as a start material to formyl protection, carrying outN-alkylation and carrying out deprotection reaction. The preparation method has the advantages of short route, good operational simplicity, high yield, low cost and low three-wastes. The invention also provides novel intermediate compounds b and c for preparing the compound d and a preparation method of the compounds b and c.

2-[(3,3,3-trifluoropropyl)thio]-6-amino-9H-purine and preparation method thereof

The invention discloses 2-[(3,3,3-trifluoropropyl)thio]-6-amino-9H-purine and a preparation method thereof. 2-[(3,3,3-trifluoropropyl)thio]-6-amino-9H-purine can be used for preparation of 6-N-[2-(methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]adenosine