[(2S,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-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl-[6-[[4-[[(2S)-2-[[(2S)-3-methyl-2-[3-[2-[[4-[3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]propanoyl]benzoyl]amino]ethoxy]propanoylamino]butanoyl]amino]propanoyl]amino]phenyl]methoxycarbonylamino]hexanoyl]amino]propanoate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [(2S,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-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl-[6-[[4-[[(2S)-2-[[(2S)-3-methyl-2-[3-[2-[[4-[3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]propanoyl]benzoyl]amino]ethoxy]propanoylamino]butanoyl]amino]propanoyl]amino]phenyl]methoxycarbonylamino]hexanoyl]amino]propanoate
• 化学式: C₈₄H₁₀₇ClN₈O₂₂S₂
• 分子量: 1680.4
• InChiKey: WXDNIPKIERFKNW-TVJMYUBNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  117
• 可旋转键数：
  36
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  423
• 氢给体数：
  7
• 氢受体数：
  22

文献信息

• DRUG-PROTEIN CONJUGATES
  申请人：Polytherics Limited

  公开号：EP2911696B1

  公开（公告）日：2017-09-20
• [EN] DRUG-PROTEIN CONJUGATES<br/>[FR] CONJUGUÉS MÉDICAMENTS-PROTÉINES
  申请人：POLYTHERICS LTD

  公开号：WO2014064424A1

  公开（公告）日：2014-05-01

  Specific conjugates containing maytansines and a binding protein or peptide, and processes for making them, are described. The conjugates use specific linker technology which gives advantages over known antibody-drug conjugates.