N2',N2'''-[Dithiobis(1-oxo-3,1-propanediyl)]bis[N2'-deacetyl- maytansine

CAS: 905449-88-9

Ref. TR-D494185

Product Information

• Name: N2',N2'''-[Dithiobis(1-oxo-3,1-propanediyl)]bis[N2'-deacetyl- maytansine
• Synonyms: DM1 Dimer

Description

Stability Hygroscopic
Applications N2',​N2'''-​[Dithiobis(1-​oxo-​3,​1-​propanediyl)​]​bis[N2'-​deacetyl- maytansine is a derivative of Mertansine (M257800) which is a cytotoxic agent. It is used as the cytotoxic component in antibody-drug conjugates.
References Erickson, H., et al.: Cancer Res., 66, 4426 (2006); Kellogg, B., et al.: Bioconjugate Chem., 22, 717 (2011)

• Brand: TRC

Chemical properties

• Molecular weight: 1474.56
• Formula: C₇₀H₉₄Cl₂N₆O₂₀S₂
• Color/Form: Neat
• InChI: InChI=1S/C70H94Cl2N6O20S2/c1-37-19-17-21-51(91-15)69(87)35-49(93-65(85)73-69)39(3)61-67(7,97-61)53(33-57(81)77(11)45-29-43(27-37)31-47(89-13)59(45)71)95-63(83)41(5)75(9)55(79)23-25-99-100-26-24-56(80)76(10)42(6)64(84)96-54-34-58(82)78(12)46-30-44(32-48(90-14)60(46)72)28-38(2)20-18-22-52(92-16)70(88)36-50(94-66(86)74-70)40(4)62-68(54,8)98-62/h17-22,29-32,39-42,49-54,61-62,87-88H,23-28,33-36H2,1-16H3,(H,73,85)(H,74,86)/b21-17-,22-18-,37-19-,38-20-/t39-,40-,41+,42+,49+,50+,51-,52-,53+,54+,61-,62-,67+,68+,69+,70+/m1/s1
• InChI key: InChIKey=RIQRXIUWYVMFRR-FDUNUCGGSA-N
• SMILES: COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSCCC(=O)N(C)[C@@H](C)C(=O)O[C@H]1CC(=O)N(C)c3cc(cc(OC)c3Cl)C/C(C)=C/C=C/[C@@H](OC)[C@@]3(O)C[C@H](OC(=O)N3)[C@@H](C)[C@H]3O[C@@]13C)[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