Simmitecan hydrochloride
Simmitecan hydrochloride is a potent topoisomerase I (TOP1) inhibitor, which is a 9-substituted lipophilic camptothecin (Camptothecin (HY-16560)) derivative. Simmitecan hydrochloride blocks DNA replication and transcription, thereby inducing tumor cell apoptosis by inhibiting the activity of TOP1. Simmitecan hydrochloride can be used for research on cancers such as liver cancer.
For research use only. We do not sell to patients.
- CAS No.: 1247847-78-4
- Formula: C34H39ClN4O6
- Molecular Weight:635.15
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Storage:
Please store the product under the recommended conditions in the Certificate of Analysis.
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
- Purity & Documentation
- References
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Help & FAQs
All Topoisomerase Isoforms
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Biological Activity
Description
IC50 & Target
[1]|
Top1 |
CYP3A4 8.95 μM (IC50) |
CYP2D6 32.9 μM (IC50) |
In Vitro
Simmitecan moderately inhibits the activity of CYP3A4 and weakly inhibits the activity of CYP2D6 in an in vitro recombinant human cytochrome P450 enzyme system, with IC50 values of 8.95 μM and 32.9 μM, respectively[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
Simmitecan (15 mg/kg; intravenous injection; single administration; 8 h) exhibits extensive distribution in tissues including tumors and substantial conversion into its active metabolite L-2-Z in nude mouse xenograft models bearing the human hepatocellular carcinoma SMMC-7721 cell line[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:Sprague-Dawley (male and female, 250-300 g)[1]
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Dosage:3.75 mg/kg; 7.5 mg/kg; 15 mg/kg
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Administration:i.v.; single dose; 48 h
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Result:Was rapidly biotransformed into its active metabolite L-2-Z in vivo and extensively distributed in most tissues (with the highest concentrations observed in the pancreas, kidneys, and liver).
Was predominantly eliminated via biliary excretion, and metabolism was also a major elimination route for the intact drug after iv administration.
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Animal Model:Nude (male and female, 18-20 g, xenograft model of human hepatic cancer SMMC-7721 cells)[1]
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Dosage:15 mg/kg
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Administration:i.v.; single dose; samples harvested at 0.25, 1, 2, 4, 8 h
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Result:Simmitecan and its active metabolite L-2-Z rapidly distributed to tissues, reaching peak concentrations 15 minutes after dosing.
Chemical Information
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CAS No. 1247847-78-4
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Molecular Weight 635.15
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Formula C34H39ClN4O6
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SMILES
[H]Cl.CC[C@]1(O)C(C=C2N3CC4=CC5=C(C=CC(OC(N6CCC(N7CCCCC7)CC6)=O)=C5CC=C)N=C42)=C(COC1=O)C3=O
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Please store the product under the recommended conditions in the Certificate of Analysis.
Purity & Documentation
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Simmitecan hydrochloride Related Classifications
HY-107133 Related Classifications
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