Name: Antitumor agent-63
Rating: 5 (10 reviews)

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HIT ID:HIT220912715
Cas No:
常用名:Antitumor agent-63
IUPAC:(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl N-[2-(2-{[(2S,3S,4S,5S,6S)-3-{[(2R,3S,4S,5R,6R)-4-(carbamoyloxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethoxy)ethyl]carbamate
IUPAC:(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl N-[2-(2-{[(2S,3S,4S,5S,6S)-3-{[(2R,3S,4S,5R,6R)-4-(carbamoyloxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethoxy)ethyl]carbamate
InChI key:InChIKey=YFRBFEVHTILPOU-MLGQGFJNSA-N

分子式:C38H46N4O18
分子量:846.796
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@@]1(OC(=O)NCCOCCO[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]2O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O
SMILES:CC[C@@]1(OC(=O)NCCOCCO[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]2O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O

Antitumor agent-63（Compound 40），一种20 (S)-O-linked camptothecin (CPT) 糖复合物，作为抗肿瘤剂，对正常细胞展现出无毒性。该化合物表现出高稳定性和低topoisomeraseI (Topo I)直接抑制活性。

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