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ChemicalBook--->CAS DataBase List--->186692-73-9

186692-73-9

186692-73-9 Structure

186692-73-9 Structure
IdentificationBack Directory
[Name]

Oxacyclohexadec-13-ene-2,6-dione, 4,8-dihydroxy-5,5,7,9-tetramethyl-16-(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl-, (4S,7R,8S,9S,13Z,16S)-
[CAS]

186692-73-9
[Synonyms]

Epo C
Epothilone C USP/EP/BP
Oxacyclohexadec-13-ene-2,6-dione, 4,8-dihydroxy-5,5,
4,8-dihydroxy-5,5,7,9-tetramethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione
(4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]oxacyclohexadec-13-ene-2,6-dione
Oxacyclohexadec-13-ene-2,6-dione, 4,8-dihydroxy-5,5,7,9-tetramethyl-16-(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl-, (4S,7R,8S,9S,13Z,16S)-
Oxacyclohexadec-13-ene-2,6-dione, 4,8-dihydroxy-5,5,7,9-tetramethyl-16-(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl-, (4S,7R,8S,9S,13Z,16S)- USP/EP/BP
[Molecular Formula]

C26H39NO5S
[MDL Number]

MFCD02102104
[MOL File]

186692-73-9.mol
[Molecular Weight]

477.66
Chemical PropertiesBack Directory
[Boiling point ]

657.7±55.0 °C(Predicted)
[density ]

1.097
[pka]

13.47±0.70(Predicted)
[InChIKey]

BEFZAMRWPCMWFJ-QJKGZULSSA-N
[SMILES]

O1[C@H](/C(/C)=C/C2=CSC(C)=N2)CC=CCCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC1=O |c:13|
Hazard InformationBack Directory
[Uses]

Epothilone C is a related compound of Epothilones, which are a novel class of antineoplastic agents with antitubulin activity. In addition, Epothilones utilize a similar mechanism of action to that of taxanes and are less susceptible to multidrug resistance caused by P-glycoprotein. Studies showed that Epothilones exhibit antitumor activity against human cancer cells that are taxane-resistant.
[Definition]

ChEBI: Epothilone C is an epothilone that is 1-oxacyclohexadec-13-ene-2,6-dione which is substituted by hydroxy groups at positions 4 and 9, methyl groups at positions 5, 5, 7, and 9, and by a (1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl group at position 16 (the 4S,7R,8S,9S,13Z,16S stereoisomer).
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