250135-97-8 ((Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with (4R)-1,4-dihydro-4-(4-pyridinylcarbonyl)-1-β-D-ribofuranosyl-3-pyridinecarboxamide)

结构式：

Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with (4R)-1,4-dihydro-4-(4-pyridinylcarbonyl)-1-β-D-ribofuranosyl-3-pyridinecarboxamideMOL文件

CAS号：

250135-97-8

英文名称：

Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with (4R)-1,4-dihydro-4-(4-pyridinylcarbonyl)-1-β-D-ribofuranosyl-3-pyridinecarboxamide

分子式：

C₂₇H₃₂N₈O₁₅P₂

分子量：

770.53510761261

Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with (4R)-1,4-dihydro-4-(4-pyridinylcarbonyl)-1-β-D-ribofuranosyl-3-pyridinecarboxamide(250135-97-8)名称与标识符

标识符

InChIKey：

GZPCDCKLGMEXOS-MXUAFQDZSA-N

Inchi：

1S/C27H32N8O15P2/c28-23-17-25(32-10-31-23)35(11-33-17)27-22(40)20(38)16(49-27)9-47-52(44,45)50-51(42,43)46-8-15-19(37)21(39)26(48-15)34-6-3-13(14(7-34)24(29)41)18(36)12-1-4-30-5-2-12/h1-7,10-11,13,15-16,19-22,26-27,37-40H,8-9H2,(H2,29,41)(H,42,43)(H,44,45)(H2,28,31,32)/t13-,15-,16-,19-,20-,21-,22-,26-,27-/m1/s1

SMILES：

O[C@@H]1[C@@H]([C@@H](COP(O)(=O)OP(O)(=O)OC[C@@H]2[C@H]([C@@H](O)[C@H](N3C=C[C@@H](C(C4=CC=NC=C4)=O)C(C(=O)N)=C3)O2)O)O[C@H]1N1C=NC2C(=NC=NC1=2)N)O

Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with (4R)-1,4-dihydro-4-(4-pyridinylcarbonyl)-1-β-D-ribofuranosyl-3-pyridinecarboxamide(250135-97-8)合成路线

合成路线：1 步

反应条件：

1.1R:S:H2O
1.2R:NH4OAc, S:H2O

参考文献：

1H and 13C NMR characterization of hemiamidal isoniazid-NAD(H) adducts as possible inhibitors of InhA reductase of Mycobacterium tuberculosis

By Broussy, Sylvain et al, Chemistry - A European Journal, 2003, 9(9), 2034-2038

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250135-97-8 ((Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with (4R)-1,4-dihydro-4-(4-pyridinylcarbonyl)-1-β-D-ribofuranosyl-3-pyridinecarboxamide)

Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with (4R)-1,4-dihydro-4-(4-pyridinylcarbonyl)-1-β-D-ribofuranosyl-3-pyridinecarboxamide(250135-97-8)名称与标识符

标识符

Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with (4R)-1,4-dihydro-4-(4-pyridinylcarbonyl)-1-β-D-ribofuranosyl-3-pyridinecarboxamide(250135-97-8)合成路线

目录