(2'R)-N2'-Deacetyl-N2'-[3-(methylthio)-1-oxopropyl]-maytansine

CAS: 936481-23-1

Ref. TR-D199038

Información del producto

• Nombre: (2'R)-N2'-Deacetyl-N2'-[3-(methylthio)-1-oxopropyl]-maytansine
• Sinónimos: (2’R)-N2’-Deacetyl-N2’-[3-(Methylthio)-1-Oxopropyl]-Maytansine
• Marca: TRC

Descripción

Applications (2'R)-N2'-Deacetyl-N2'-[3-(methylthio)-1-oxopropyl]-maytansine is an epimer of N2'-Deacetyl-N2'-[3-(methylthio)-1-oxopropyl]-maytansine (D199035), which is an active metabolite of Maytansine (M197940), inhibits in vitro polymerization of tubulin and is used in the treatment of advanced breast cancer.
References Remillard, S., et. al.: Science, 189, 1002 (1975); Prota, A.E., et. al.: P. Natl. Acad. Sci. USA, 111, 13817 (2014);

Propiedades químicas

• Peso molecular: 752.31
• Fórmula: C₃₆H₅₀ClN₃O₁₀S
• Color/Forma: Neat
• InChI: InChI=1S/C36H50ClN3O10S/c1-20-11-10-12-27(47-8)36(45)19-26(48-34(44)38-36)21(2)32-35(4,50-32)28(49-33(43)22(3)39(5)29(41)13-14-51-9)18-30(42)40(6)24-16-23(15-20)17-25(46-7)31(24)37/h10-12,16-17,21-22,26-28,32,45H,13-15,18-19H2,1-9H3,(H,38,44)/b12-10+,20-11+/t21-,22-,26+,27-,28+,32+,35+,36+/m1/s1
• Clave InChI: InChIKey=PLYHSTGTQYPYMT-DTYXKWMASA-N
• SMILES: COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CCSC)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2