Chemical Compound

[5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl 4-{[3-({2-[(4-bromo-2,3-dioxobutyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate(non-preferred name)

CAS Registry Number 66686-64-4
[5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl 4-{[3-({2-[(4-bromo-2,3-dioxobutyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate(non-preferred name) 结构式
Primary record

[5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl 4-{[3-({2-[(4-bromo-2,3-dioxobutyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate(non-preferred name)

库存
9,682 克
纯度
99.6 %
CAS
66686-64-4

化合物标识与属性

CAS
66686-64-4
PubChem CID
188365
SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCC(=O)C(=O)CBr)O
Canonical SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSCC(=O)C(=O)CBr

名称与同义词

  • S-(4-Bromo-2,3-dioxobutyl)-coa
  • RefChem:912385
  • AC1L4MO1
  • AC1Q27DS
  • 4-Bromo-2,3-dioxobutyl-coenzyme A
  • DTXSID00985262
  • KST-1A8168
  • AR-1A9126
  • CID188365
  • Coenzyme A, S-(4-bromo-2,3-dioxobutyl)-
  • 66686-64-4
  • S-(4-Bromo-2,3-dioxobutyl)-CoA; (Acyl-CoA); [M+H]+;
  • [[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [4-[[3-[2-(4-bromo-2,3-dioxobutyl)sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate
  • [5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl 4-{[3-({2-[(4-bromo-2,3-dioxobutyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate(non-preferred name)
  • 7721-57-5
  • 9-{5-O-[{[(4-{[3-({2-[(4-Bromo-2,3-dioxobutyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine