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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- No. CAS: 951290-31-6
- Fòrmula: C34H38N4O6
- Peso molecular:598.70
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Almacenamiento:
Please store the product under the recommended conditions in the Certificate of Analysis.
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Actividad biológica
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Top1 |
CYP3A4 8.95 μM (IC50) |
CYP2D6 32.9 μM (IC50) |
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.
| Species | Dose | Route | Cmax | AUC0-24 | T1/2 | MRT | CLplasma | Vss |
|---|---|---|---|---|---|---|---|---|
| Mice[1] | 15 mg/kg | i.v. | 5124 nM | 8142 nM·h | 0.95 h | 1.14 h | 3.16 L/h/kg | 3.57 L/kg |
| Rat[1] | 3.75 mg/kg | i.v. | 1651 nM | 3709 nM·h | 1.45 h | 1.85 h | 1.82 L/h/kg | 3.34 L/kg |
| Rat[1] | 7.5 mg/kg | i.v. | 3518 nM | 8922 nM·h | 1.46 h | 1.92 h | 1.54 L/h/kg | 2.91 L/kg |
| Rat[1] | 15 mg/kg | i.v. | 7192 nM | 17906 nM·h | 1.42 h | 1.91 h | 1.51 L/h/kg | 2.86 L/kg |
| Dog[1] | 1.25 mg/kg | i.v. | 616 nM | 2050 nM·h | 1.95 h | 2.74 h | 1.12 L/h/kg | 3.03 L/kg |
| Dog[1] | 2.5 mg/kg | i.v. | 1135 nM | 3712 nM·h | 1.90 h | 2.74 h | 1.20 L/h/kg | 3.27 L/kg |
| Dog[1] | 5 mg/kg | i.v. | 2101 nM | 6417 nM·h | 1.72 h | 2.45 h | 1.46 L/h/kg | 3.54 L/kg |
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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No. CAS 951290-31-6
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Peso molecular 598.70
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Fòrmula C34H38N4O6
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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
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Envío
Room temperature in continental US; may vary elsewhere.
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Almacenamiento
Please store the product under the recommended conditions in the Certificate of Analysis.
Pureza y Documentación
Referencias
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Simmitecan Related Classifications
HY-107133A Related Classifications
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