Products 139504-50-0

CAS 139504-50-0 appears in our catalog under these names: Mertansine, DM1, 95%, Mertansine (Maytansinoid DM 1), Mertansine, >95% (HPLC), Mertansine/ 99.76% (existing batch purity). Offered by: GLPBio, Combi-blocks, Chemat Brand, TRC, TargetMol. Available pack sizes: 50mg, 100mg, 250mg, on request, 10mg, 25mg, 1mg, 5mg.

Mertansine is an organic heterotetracyclic compound and 19-membered macrocyclic lactam that is maytansine in which one of the hydrogens of the terminal N-acetyl group is replaced by a sulfanylmethyl group. It has a role as an antineoplastic agent and a tubulin modulator. It is a carbamate ester, a thiol, an epoxide, an organochlorine compound, an organic heterotetracyclic compound, an alpha-amino acid ester and a maytansinoid. It is functionally related to a maytansine.

Source: ChEBI

Identity
Molecular formulaC35H48ClN3O10S
Molecular weight738.3 g/mol
IUPAC name[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl(3-sulfanylpropanoyl)amino]propanoate
InChIKeyANZJBCHSOXCCRQ-FKUXLPTCSA-N
SMILESC[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCS)C)\C)OC)(NC(=O)O2)O

Computed by PubChem (NCBI)