Products 152044-53-6

CAS 152044-53-6 appears in our catalog under these names: Ixabepilone Impurity 5 (Epothilone A), Epothilone A, >95% (HPLC), Epothilone A, Epothilone A/ 98.27% (existing batch purity), (1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12-tetramethyl-3-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione, 98%, 98%. Offered by: Chemat Brand, TRC, GLPBio, TargetMol, Chemat. Available pack sizes: on request, 10mg, 1mg, 50mg, 100mg, 25mg, 5mg, 10mM (in 1ml dmso).

Structural formula: {0} (CAS {1})

Epothilone A is an epithilone that is epothilone C in which the double bond in the macrocyclic lactone ring has been oxidised to the corresponding epoxide (the 13R,14S diastereoisomer). It has a role as a metabolite, an antineoplastic agent, a tubulin modulator and a microtubule-stabilising agent. It is an epoxide and an epothilone.

Source: ChEBI

Identity
Molecular formulaC26H39NO6S
Molecular weight493.7 g/mol
IUPAC name(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
InChIKeyHESCAJZNRMSMJG-KKQRBIROSA-N
SMILESC[C@H]1CCC[C@@H]2[C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C

Computed by PubChem (NCBI)