Name: Vincristine-d3 sulfate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220922019
Cas No:1246817-10-6
常用名:Vincristine-d3 sulfate
IUPAC:methyl (1R,9R,10S,11R,12R,19R)-11-[(2,2,2-2H3)acetyloxy]-12-ethyl-4-[(1S,13S,15S,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0^{4,12}.0^{5,10}]nonadeca-4(12),5,7,9-tetraen-13-yl]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2(7),3,5,13-tetraene-10-carboxylate; sulfuric acid
IUPAC:methyl (1R,9R,10S,11R,12R,19R)-11-[(2,2,2-2H3)acetyloxy]-12-ethyl-4-[(1S,13S,15S,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0^{4,12}.0^{5,10}]nonadeca-4(12),5,7,9-tetraen-13-yl]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2(7),3,5,13-tetraene-10-carboxylate; sulfuric acid
InChI key:InChIKey=AQTQHPDCURKLKT-HFGIHNKKSA-N

分子式:C46H58N4O14S
分子量:926.06
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OS(O)(=O)=O.[H][C@@]12N3CC[C@@]11c4cc(c(OC)cc4N(C=O)[C@@]1([H])[C@](O)([C@H](OC(=O)C([2H])([2H])[2H])[C@]2(CC)C=CC3)C(=O)OC)[C@]1(C[C@]2([H])C[N@@](C[C@](O)(CC)C2)CCc2c1[nH]c1ccccc21)C(=O)OC
SMILES:OS(O)(=O)=O.[H][C@@]12N3CC[C@@]11c4cc(c(OC)cc4N(C=O)[C@@]1([H])[C@](O)([C@H](OC(=O)C([2H])([2H])[2H])[C@]2(CC)C=CC3)C(=O)OC)[C@]1(C[C@]2([H])C[N@@](C[C@](O)(CC)C2)CCc2c1[nH]c1ccccc21)C(=O)OC

Vincristine-d3(sulfate) 是 Vincristine sulfate 的氘代物。这种抗肿瘤长春花生物碱通过抑制有丝分裂纺锤体中的microtubule形成，导致细胞在中期阶段停滞。其与microtubule结合的Ki值为85 nM。

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