Name: Exatecan-amide-bicyclo[1.1.1]pentan-1-ylmethanol
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT218849192
Cas No:2891774-71-1
常用名:Exatecan-amide-bicyclo[1.1.1]pentan-1-ylmethanol
常用名:Exatecan-amide-bicyclo[1.1.1]pentan-1-ylmethanol
IUPAC:N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0^{2,14}.0^{4,13}.0^{6,11}.0^{20,24}]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxamide
IUPAC:N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0^{2,14}.0^{4,13}.0^{6,11}.0^{20,24}]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxamide
InChI key:NJOCUHWCWLJEOM-OXXUGIMDSA-N

分子式:C31H30FN3O6
分子量:559.594
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](NC(=O)C67CC(CO)(C6)C7)c(c3Cn1c2=O)c45
SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](NC(=O)C67CC(CO)(C6)C7)c(c3Cn1c2=O)c45

Exatecan-amide-bicyclo[1.1.1]pentan-1-ylmethanol (compound 45) 作为一种喜树碱衍生物，具有抑制细胞增殖的功能，对MDA-MB-468细胞展现出显著的抑制活性，其IC50值仅为2.92 ng/mL。因此，该化合物被广泛应用于癌症相关的研究领域。

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