951290-31-6
Chemical Structure
Simmitecan
- CAS No.: 951290-31-6
- Formula:C34H38N4O6
- Molecular Weight:598.70
IUPAC Name: (S)-10-allyl-4-ethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate
InChIKey: XPVBLGRILRVSLF-UMSFTDKQSA-N
SMILES: O=C1N2C(C=3C(C2)=CC=4C(N3)=CC=C(OC(=O)N5CCC(CC5)N6CCCCC6)C4CC=C)=CC7=C1COC(=O)[C@@]7(CC)O
Biological Activity: Simmitecan is a potent topoisomerase I (TOP1) inhibitor, which is a 9-substituted lipophilic camptothecin (Camptothecin (HY-16560)) derivative. Simmitecan blocks DNA replication and transcription, thereby inducing tumor cell apoptosis by inhibiting the activity of TOP1. Simmitecan can be used in the research of cancers such as liver cancer[1][2][3].
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Simmitecan | Simmitecan is a potent topoisomerase I (TOP1) inhibitor, which is a 9-substituted lipophilic camptothecin (Camptothecin (HY-16560)) derivative. Simmitecan blocks DNA replication and transcription, thereby inducing tumor cell apoptosis by inhibiting the activity of TOP1. Simmitecan can be used in the research of cancers such as liver cancer. | |||||||||||||||||||||
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- [1]. Hu ZY, et al. Pharmacokinetic evaluation of the anticancer prodrug simmitecan in different experimental animals. Acta pharmacologica Sinica. 2013 Nov;34(11):1437-48. [Content Brief]
- [2]. Zhou J, et al. A validated HPLC-MS/MS method for determination of simmitecan and its metabolite chimmitecan in human plasma and its application to a pharmacokinetic study in Chinese patients with advanced solid tumor. Journal of separation science. 2021 Nov;44(21):3959-3966.
- [3]. Zhang Q, et al. A Phase Ib Study of the Simmitecan Single Agent and in Combination With 5-Fluorouracil/Leucovorin or Thalidomide in Patients With Advanced Solid Tumor. Frontiers in pharmacology. 2022;13:833583.
Keywords