WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 100765
CAS#: 13909-09-6
Description: Semustine is a drug used in chemotherapy. It is structurally similar to lomustine, being distinguished from it only by an additional methyl group. It has been taken off the drug market for investigation of its cancerous effects, rated as IARC Group 1 carcinogen or a known carcinogen.
MedKoo Cat#: 100765
Name: Semustine
CAS#: 13909-09-6
Chemical Formula: C10H18ClN3O2
Exact Mass: 247.10875
Molecular Weight: 247.72
Elemental Analysis: C, 48.48; H, 7.32; Cl, 14.31; N, 16.96; O, 12.92
Semustine 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: CCNU methyl, MCCNU, methyl CCNU, methylCCNU, MeCCNU
IUPAC/Chemical Name: N-(2-Chloroethyl)-N'-(4-methylcyclohexyl)-N-nitrosourea
InChi Key: FVLVBPDQNARYJU-UHFFFAOYSA-N
InChi Code: InChI=1S/C10H18ClN3O2/c1-8-2-4-9(5-3-8)12-10(15)14(13-16)7-6-11/h8-9H,2-7H2,1H3,(H,12,15)
SMILES Code: O=C(NC1CCC(C)CC1)N(CCCl)N=O
The following data is based on the product molecular weight 247.72 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 |
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semustine is a methylated derivative of carmustine with antineoplastic activity. As an alkylating agent, semustine forms covalent linkages with nucleophilic centers in DNA, causing depurination, base-pair miscoding, strand scission, and DNA-DNA cross-linking, which may result in cytotoxicity. Check for active clinical trials or closed clinical trials using this agent. (NCI Thesaurus)