N2'-Deacetyl-N2'-[3-[(1-ethyl-2,5-dioxo-3-pyrrolidinyl)thio]-1-oxopropyl]-maytansine-d5

CAS: 1343477-01-9

Ref. TR-D199032

Product Information

• Name: N2'-Deacetyl-N2'-[3-[(1-ethyl-2,5-dioxo-3-pyrrolidinyl)thio]-1-oxopropyl]-maytansine-d5
• Synonyms: DM1-NEM-d5
• Brand: TRC

Description

Applications N2'-Deacetyl-N2'-[3-[(1-ethyl-2,5-dioxo-3-pyrrolidinyl)thio]-1-oxopropyl]-maytansine-d5 is labelled N2'-​Deacetyl-​N2'-​[3-​[(1-​ethyl-​2,​5-​dioxo-​3-​pyrrolidinyl)​thio]​-​1-​oxopropyl]​-maytansine (D199030), 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)

Chemical properties

• Molecular weight: 868.444
• Formula: C₄₁D₅H₅₀ClN₄O₁₂S
• Color/Form: Neat
• InChI: InChI=1S/C41H55ClN4O12S/c1-10-46-34(49)19-29(37(46)50)59-15-14-32(47)44(6)24(4)38(51)57-31-20-33(48)45(7)26-17-25(18-27(54-8)35(26)42)16-22(2)12-11-13-30(55-9)41(53)21-28(56-39(52)43-41)23(3)36-40(31,5)58-36/h11-13,17-18,23-24,28-31,36,53H,10,14-16,19-21H2,1-9H3,(H,43,52)/b13-11+,22-12+/t23-,24+,28+,29?,30-,31+,36-,40+,41+/m1/s1/i1D3,10D2
• InChI key: InChIKey=YTBXYRVRAOJNNM-PLEUABKNSA-N
• SMILES: [2H]C([2H])([2H])C([2H])([2H])N1C(=O)CC(SCCC(=O)N(C)[C@@H](C)C(=O)O[C@H]2CC(=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@@]23C)C1=O