(R)-Mertansine-13CD3

Ref. TR-M257801

Informação sobre produto

• Nome: (R)-Mertansine-13CD3
• Sinónimos: [(1S,2R,3R,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10(26),11,13,16,18-pentaen-6-yl] (2R)-2-[3-sulfanylpropanoyl(trideuterio(113C)methyl)amino]propanoate

Descrição

Applications (R)-Mertansine-13CD3 is a by-product in the synthesis of Mertansine-13CD3 (M257802), which is the isotope labelled analog of Mertansine (M257800); a cytotoxic agent 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)

• Marca: TRC

Propriedades químicas

• Peso molecular: 742.299
• Fórmula: C₃₄CH₄₅D₃ClN₃O₁₀S
• Cor/forma: Neat
• InChI: InChI=1S/C35H48ClN3O10S/c1-19-10-9-11-26(46-8)35(44)18-25(47-33(43)37-35)20(2)31-34(4,49-31)27(48-32(42)21(3)38(5)28(40)12-13-50)17-29(41)39(6)23-15-22(14-19)16-24(45-7)30(23)36/h9-11,15-16,20-21,25-27,31,44,50H,12-14,17-18H2,1-8H3,(H,37,43)/b11-9+,19-10+/t20-,21-,25+,26-,27+,31-,34+,35+/m1/s1/i5+1D3
• Chave InChI: InChIKey=ANZJBCHSOXCCRQ-YXTZLOHFSA-N
• SMILES: [2H][13C]([2H])([2H])N(C(=O)CCS)[C@H](C)C(=O)O[C@H]1CC(=O)N(C)c2cc(cc(OC)c2Cl)C/C(C)=C/C=C/[C@@H](OC)[C@@]2(O)C[C@H](OC(=O)N2)[C@@H](C)[C@H]2O[C@@]12C