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  3. HIT213841046
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HIT213841046
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HIT213841046
  • HIT ID:HIT213841046
  • Cas No:796073-68-2
  • 常用名:DM4-SMe
  • IUPAC:(1S,2R,3S,5S,6S,16Z,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10,12,14(26),16,18-pentaen-6-yl (2S)-2-[N,4-dimethyl-4-(methyldisulfanyl)pentanamido]propanoate
    IUPAC:(1S,2R,3S,5S,6S,16Z,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10,12,14(26),16,18-pentaen-6-yl (2S)-2-[N,4-dimethyl-4-(methyldisulfanyl)pentanamido]propanoate
  • InChI key:LTLNAIFGVAUBEJ-RVPISSKDSA-N
  • 分子式:C39H56ClN3O10S2
  • 分子量:826.46
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H][C@@]12C[C@@](O)(NC(=O)O1)[C@]([H])(OC)\C=C\C=C(C)/Cc1cc(OC)c(Cl)c(c1)N(C)C(=O)C[C@]([H])(OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@]1(C)O[C@H]1[C@@H]2C |t:14,16|
    SMILES:[H][C@@]12C[C@@](O)(NC(=O)O1)[C@]([H])(OC)\C=C\C=C(C)/Cc1cc(OC)c(Cl)c(c1)N(C)C(=O)C[C@]([H])(OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@]1(C)O[C@H]1[C@@H]2C |t:14,16|
  • DM4-SMe is a cytotoxic part of antibody-drug conjugates (ADCs) and a metabolite of antibody-maytansin conjugates (AMCs) and tubulin inhibitors, which can also be stabilized by disulfide bonds or thioether The bond binds to the antibody. The IC50 of DM4-SMe on KB cells was 0.026 nM.
市场产品/服务共显示1个结果
  • 供应商
    TargetMolSC
    规格
    货期
    纯度
    -
    ¥ 12,800.00
    1

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