6008-91-9

Basic information

• Product Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-[2-(2-methylprop-2-enoylsulfanyl)ethylcarbamoyl]ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid
• Synonyms: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-[2-(2-methylprop-2-enoylsulfanyl)ethylcarbamoyl]ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid;Methacrylyl-CoA;methacrylyl-coenzyme A
• CAS NO: 6008-91-9
• Molecular Formula: C25H40N7O17P3S
• Molecular Weight: 835.61
• Mol File: 6008-91-9.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• Density: 1.83g/cm³
• Refractive Index: 1.7
• PKA: 1.16±0.50(Predicted)
• CAS DataBase Reference: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-[2-(2-methylprop-2-enoylsulfanyl)ethylcarbamoyl]ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid(CAS DataBase Reference)
• NIST Chemistry Reference: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-[2-(2-methylprop-2-enoylsulfanyl)ethylcarbamoyl]ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid(6008-91-9)
• EPA Substance Registry System: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-[2-(2-methylprop-2-enoylsulfanyl)ethylcarbamoyl]ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid(6008-91-9)

Safety Data

• Hazardous Substances Data: 6008-91-9(Hazardous Substances Data)

Usage

Uses

Methacrylyl-CoA is an intermediate in the serine cycle that converts acetyl CoA (acetyl-CoA) to glyoxylate.

Definition

ChEBI: An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of methacrylic acid.

InChI:InChI=1/C25H40N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-12,14,17-19,23,34-35H,1,5-10H2,2-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1

Upstream product

• 85-61-0 coenzyme A 
• 920-46-7 Methacryloyl chloride 
• 54667-28-6 S-phenyl 2-methylpropenethioate 

Downstream Products

• 6008-94-2 3-hydroxy-isobutanoyl-CoA 

Relevant articles and documents

METHODS (AMACR)

A method of measuring α-methylacyl-CoA racemase (AMACR) activity in a sample is described comprising the steps of: (i) providing a sample; (ii) contacting said sample with a substrate compound that undergoes elimination of hydrogen and a leaving group catalysed by said AMACR to produce a product compound having an additional carbon-carbon double bond; and (iii) measuring the amount of said leaving group and/or of said product compound and/or of unreacted substrate compound. Also provided are methods of diagnosis and medical imaging, in particular for use in diagnosing prostate cancer. Also provided are substrate compounds of Formula 1 for use in the methods described herein.