Simmitecan

    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

img
Simmitecan
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

Size Price Shipping out time Quantity
Inquire bulk and customized quantity

Pricing updated 2021-03-05. Prices are subject to change without notice.

Simmitecan is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.

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 Key: UWNITDCAZZJJFF-GXUZKUJRSA-N

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

Handling Instructions:

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.

Select a batch to recalculate based on the batch molecular weight:
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

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.
=
x
x
g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

=
÷

Dilution Calculator

Calculate the dilution required to prepare a stock solution.
x
=
x

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