Chemical Compound

[(2r,3s,4r)-5-[(7s)-4-amino-6-(4-bromo-2,3-dioxo-butyl)sulfanyl-7h-pyrrolo[5,4-e]pyrimidin-7-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate; 1-[(3r,4s,5r)-5-ethyl-3,4-dihydroxy-tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxamide

CAS Registry Number 154591-46-5
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[(2r,3s,4r)-5-[(7s)-4-amino-6-(4-bromo-2,3-dioxo-butyl)sulfanyl-7h-pyrrolo[5,4-e]pyrimidin-7-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate; 1-[(3r,4s,5r)-5-ethyl-3,4-dihydroxy-tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxamide 结构式
Primary record

[(2r,3s,4r)-5-[(7s)-4-amino-6-(4-bromo-2,3-dioxo-butyl)sulfanyl-7h-pyrrolo[5,4-e]pyrimidin-7-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate; 1-[(3r,4s,5r)-5-ethyl-3,4-dihydroxy-tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxamide

库存
7,494 克
纯度
99.5 %
CAS
154591-46-5

化合物标识与属性

CAS
154591-46-5
PubChem CID
170328
SMILES
CC[C@@H]1[C@H]([C@H](C(O1)[N+]2=CC=CC(=C2)C(=O)N)O)O.C1=NC2=C(C(=N1)N)N=C([C@@H]2C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)SCC(=O)C(=O)CBr
Canonical SMILES
CC[C@H]1OC([n+]2cccc(C(N)=O)c2)[C@H](O)[C@@H]1O.Nc1ncnc2c1N=C(SCC(=O)C(=O)CBr)[C@@H]2C1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

名称与同义词

  • 8-Bdb-tnad
  • AC1L55EF
  • 8-(4-Bromo-2,3-dioxobutylthio)NAD
  • CTK4C8341
  • XUUGVPBJGOABMI-BDYRSLACSA-O
  • KST-1A2350
  • AR-1A8136
  • CID170328
  • C37H36N6O5.2C7H7O3S
  • 154591-46-5
  • C37-H36-N6-O5.2C7-H7-O3-S
  • 8-(4-Bromo-2,3-dioxobutylthio)nicotinamide adenine dinucleotide
  • 19060-75-4
  • [(2r,3s,4r)-5-[(7s)-4-amino-6-(4-bromo-2,3-dioxo-butyl)sulfanyl-7h-pyrrolo[5,4-e]pyrimidin-7-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate; 1-[(3r,4s,5r)-5-ethyl-3,4-dihydroxy-tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxamide
  • Adenosine5'-(trihydrogen diphosphate), 8-[(4-bromo-2,3-dioxobutyl)thio]-, P'®5'-ester with3-(aminocarbonyl)-1-b-D-ribofuranosylpyridinium, inner salt (9CI)
  • [(2R,3S,4R)-5-[(7S)-4-amino-6-(4-bromo-2,3-dioxobutyl)sulfanyl-7H-pyrrolo[3,2-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate; 1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxamide
  • [(2R,3S,4R)-5-[(7S)-4-amino-6-(4-bromo-2,3-dioxobutyl)sulfanyl-7H-pyrrolo[3,2-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxamide
  • Adenosine 5'-(trihydrogen diphosphate), 8-((4-bromo-2,3-dioxobutyl)thio)-, P'-5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium, inner salt
  • Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-ethyl-, di-p-toluenesulfonate