4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethylamino]-3-methylbutanoyl]amino]pentanoyl]amino]-N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]benzamide | 1033127-40-0

• 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: 4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethylamino]-3-methylbutanoyl]amino]pentanoyl]amino]-N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]benzamide
• CAS: 1033127-40-0
• 化学式: C₅₀H₅₅ClN₁₀O₉
• 分子量: 975.501
• InChiKey: UJFNNVFQURTHDX-GUDIPIDCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  70
• 可旋转键数：
  21
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  277
• 氢给体数：
  9
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  、 3-(5-aminoindole-2-carbonyl)-1-(S)-(chloromethyl)-5-hydroxy-1,2-dihydro-3H-benz[e]indole 在 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以45%的产率得到4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethylamino]-3-methylbutanoyl]amino]pentanoyl]amino]-N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]benzamide
  参考文献：
  名称：

  CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF

  摘要：

  本公开提供了药物-配体共轭物和药物可切割底物共轭物，它们是有效的细胞毒素。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。

  公开号：

  US20100145036A1

文献信息

• ANTIBODIES, IN PARTICULAR HUMAN ANTIBODIES, THAT BIND CD22 AND USES THEREOF
  申请人：E. R. Squibb & Sons, L.L.C.

  公开号：EP2097097B1

  公开（公告）日：2018-05-30
• HUMAN ANTIBODIES THAT BIND MESOTHELIN, AND USES THEREOF
  申请人：Bristol-Myers Squibb Company

  公开号：EP2195017B1

  公开（公告）日：2014-10-22
• FIBRONECTIN ED-B ANTIBODIES, CONJUGATES THEREOF, AND METHODS OF USE
  申请人：KING David J.

  公开号：US20090162372A1

  公开（公告）日：2009-06-25

  The present invention provides anti-ED-B antibodies, antibody fragments, and antibody mimetics and such antibodies conjugated to a partner molecule, wherein the antibody or the antibody-partner molecule conjugate provides a therapeutic effect regardless of whether the ED-B-antibody or ED-B-conjugate complex is internalized within a targeted cell.
• HUMAN ANTIBODIES THAT BIND CD19 AND USES THEREOF
  申请人：King David John

  公开号：US20100104509A1

  公开（公告）日：2010-04-29

  Human monoclonal antibodies that specifically bind to CD19 with high affinity are disclosed The antibodies are capable of internalizing into CD19-expressing cells or are capable of mediating antigen dependent cellular cytotoxicity Nucleic acid molecules encoding the antibodies, expression vectors, host cells and methods for expressing the antibodies are also provided Antibody-partner molecule conjugates, bispecific molecules and pharmaceutical compositions comprising the antibodies are also provided Also provided are methods for detecting CD19, as well as methods for treating cancers, such as B cell malignancies, for example, non-Hodgkin's lymphoma, chronic lymphocytic leukemias, follicular lymphomas, diffuse large cell lymphomas of B lineage, and multiple myelomas using an anti-CD 19 anti-body
• Human Antibodies That Bind Cd22 And Uses Thereof
  申请人：King David John

  公开号：US20100143368A1

  公开（公告）日：2010-06-10

  The present disclosure provides isolated monoclonal antibodies that specifically bind to CD22 with high affinity, particularly human monoclonal antibodies. 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. Antibody-partner molecule conjugates, bispecific molecules and pharmaceutical compositions comprising the antibodies of this disclosure are also provided. This disclosure also provides methods for detecting CD22, as well as methods for treating various cancers and inflammatory and autoimmune disorders using an anti-CD22 antibody of this disclosure.