Semustine
Semustine is a member of the chloroethyl nitrosourea (CENU) family that induces DNA alkylation at the major groove, forming interstrand cross-links between guanine and cytosine bases (dG-dC). It exerts antitumor activity by inducing these DNA cross-links and is used as an antineoplastic alkylating agent for treating Lewis lung carcinoma, leukemia, and metastatic brain tumors.
| Catalog Number | E4754 |
| Molecular Formula | C51H79NO13 |
| CAS# | 13909-09-6 |
| Inchi | InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-1 0)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1 |
| Inchi Key | QFJCIRLUMZQUOT-HPLJOQBZSA-N |
| SMILES | CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC |
| Size | 5mg |
| Supplier Page | http://www.selleckchem.com/products/semustine.html |
| Additional Information | https://file.selleck.cn/downloads/struct/E4754-Semustine-chemical-structure.png |