Name: S39625
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214318678
Cas No:536711-20-3
常用名:S39625
别名:S-39625, S 39625
IUPAC:2-cyclobutyl-17-ethyl-17-hydroxy-6,8-dioxa-12,22-diazahexacyclo[11.10.0.0^{3,11}.0^{5,9}.0^{14,22}.0^{16,20}]tricosa-1,3,5(9),10,12,14,16(20)-heptaene-18,21-dione
IUPAC:2-cyclobutyl-17-ethyl-17-hydroxy-6,8-dioxa-12,22-diazahexacyclo[11.10.0.0^{3,11}.0^{5,9}.0^{14,22}.0^{16,20}]tricosa-1,3,5(9),10,12,14,16(20)-heptaene-18,21-dione
InChI key:BSNSKRNANVCWQN-UHFFFAOYSA-N

分子式:C25H22N2O5
分子量:430.46
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC1(O)C(=O)Cc2c1cc1-c3nc4cc5OCOc5cc4c(C4CCC4)c3Cn1c2=O
SMILES:CCC1(O)C(=O)Cc2c1cc1-c3nc4cc5OCOc5cc4c(C4CCC4)c3Cn1c2=O

S39625, an E-ring camptothecin keto analogue, is a stable, potent, and selective topoisomerase I inhibitor without being substrates of drug efflux transporters. Nanomolar concentrations of S39625 induces intense and persistent histone gamma-H2AX. The chemical stability of the keto analogues and the ability of S39625 to produce high levels of persistent Top1-DNA cleavage complex and its potent antiproliferative activity against human cancer cell lines make S39625 a promising new anticancer drug candidate.

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