WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 206049

CAS#: 1247847-78-4

Description: Simmitecan is a potent topoisomerase I inhibitor, is also a promising water-soluble prodrug of chimmitecan, exhibiting potent antitumor activities both in vitro and in vivo by inhibiting topoisomerase I.

Chemical Structure

CAS# 1247847-78-4

Theoretical Analysis

MedKoo Cat#: 206049
Name: Simmitecan
CAS#: 1247847-78-4
Chemical Formula: C34H38N4O6
Exact Mass: 598.27913
Molecular Weight: 598.68872
Elemental Analysis: C, 68.21; H, 6.40; N, 9.36; O, 16.03

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: Simmitecan; Camptothecin LP.

IUPAC/Chemical 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 hydrochloride


InChi Code: InChI=1S/C34H38N4O6.ClH/c1-3-8-23-24-17-21-19-38-28(18-26-25(31(38)39)20-43-32(40)34(26,42)4-2)30(21)35-27(24)9-10-29(23)44-33(41)37-15-11-22(12-16-37)36-13-6-5-7-14-36;/h3,9-10,17-18,22,42H,1,4-8,11-16,19-20H2,2H3;1H/t34-;/m0./s1

SMILES Code: O=C(N1CCC(N2CCCCC2)CC1)OC3=CC=C4N=C5C(CN6C(C(COC([C@@]7(CC)O)=O)=C7C=C65)=O)=CC4=C3CC=C.[H]Cl.

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >5 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 598.68872 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Hu Z, Sun Y, Du F, Niu W, Xu F, Huang Y, Li C. Accurate determination of the anticancer prodrug simmitecan and its active metabolite chimmitecan in various plasma samples based on immediate deactivation of blood carboxylesterases. J Chromatogr A. 2011 Sep 23;1218(38):6646-53. doi: 10.1016/j.chroma.2011.07.042. Epub 2011 Jul 23. PubMed PMID: 21839460.

Additional Information