For research use only. Not for therapeutic Use.
Semustine is a DNA alkylator, binds to DNA, and acts as a cancer chemotherapeutic agent[1].
Catalog Number | M062628 |
CAS Number | 13909-09-6 |
Synonyms | 1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea |
Molecular Formula | C10H18ClN3O2 |
Purity | ≥95% |
InChI | 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) |
InChIKey | FVLVBPDQNARYJU-UHFFFAOYSA-N |
SMILES | CC1CCC(CC1)NC(=O)N(CCCl)N=O |
Reference | [1]. Agarwal S, et al. Molecular modeling and spectroscopic studies of semustine binding with DNA and its comparison with lomustine-DNA adduct formation. J Biomol Struct Dyn. 2015;33(8):1653-68. |