[(1S)-1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] N-[2-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate | 1160701-37-0

• 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: [(1S)-1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] N-[2-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate
• CAS: 1160701-37-0
• 化学式: C₆₀H₇₄ClN₁₁O₁₃
• 分子量: 1192.77
• InChiKey: VFXVPGGEPGTVQC-OZCKQYFQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  85
• 可旋转键数：
  31
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  297
• 氢给体数：
  6
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  [(1S)-1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] (4-nitrophenyl) carbonate 、 [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-methyl-N-[2-(methylamino)ethyl]carbamate 在 N,N-二异丙基乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 以45%的产率得到[(1S)-1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] N-[2-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate
  参考文献：
  名称：

  [EN] SELF-IMMOLATIVE LINKERS AND DRUG CONJUGATES
  [FR] BRAS DE LIAISON CHIMIQUES ET CONJUGUES ASSOCIES

  摘要：

  公开号：

  WO2005112919A3

文献信息

• CHEMICAL LINKERS AND CONJUGATES THEREOF
  申请人：Boyd Sharon E.

  公开号：US20100092496A1

  公开（公告）日：2010-04-15

  The present disclosure provides drug-ligand conjugates that are potent cytotoxins, wherein the drug is linked to the ligand through either a peptidyl, hydrazine, or disulfide linker. The disclosure is also directed to compositions containing the drug-ligand conjugates, and to methods of treatment using them.

  本公开提供了药物-配体共轭物，其具有强效的细胞毒性，其中药物通过肽基、肼基或二硫键连接到配体上。该公开还涉及含有药物-配体共轭物的组合物，以及使用它们的治疗方法。
• Antibody-Drug Conjugates and Methods of Use
  申请人：Boyd Sharon Elaine

  公开号：US20080279868A1

  公开（公告）日：2008-11-13

  The present disclosure provides antibody-drug conjugates that are potent cytotoxins, wherein the drug is linked to the antibody through a linker. The disclosure is also directed to compositions containing the antibody-drug conjugates, and to methods of treatment using them.
• ANTI-B7H4 MONOCLONAL ANTIBODY-DRUG CONJUGATE AND METHODS OF USE
  申请人：Terrett Jonathan A.

  公开号：US20110085970A1

  公开（公告）日：2011-04-14

  The present disclosure provides isolated monoclonal antibodies, particularly human monoclonal antibodies that specifically bind to B7H4 with high affinity. Nucleic acid molecules encoding the antibodies of this disclosure, expression vectors, host cells and methods for expressing the antibodies of this disclosure are also provided, immunoconjugates, including antibody-drug conjugates, bispecific molecules and pharmaceutical compositions comprising the antibodies of this disclosure are also provided. This disclosure also provides methods for treating cancer.
• MONOCLONAL ANTIBODY PARTNER MOLECULE CONJUGATES DIRECTED TO PROTEIN TYROSINE KINASE 7 (PTK7)
  申请人：Terrett Jonathan Alexander

  公开号：US20120027782A1

  公开（公告）日：2012-02-02

  The present disclosure relates to antibody-partner molecule conjugates directed to PTK7. Also described are methods for treating or preventing a disease characterized by growth of tumor cells expressing PTK7 using the antibody-partner molecule conjugates.
• US7691962B2
  申请人：——

  公开号：US7691962B2

  公开（公告）日：2010-04-06