WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 206049
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.
MedKoo Cat#: 206049
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
This product is not in stock, which may be available by custom synthesis.
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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 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
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.
|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|
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.