| 1345680-83-2

• 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
• CAS: 1345680-83-2
• 化学式: C₃₀H₃₉N₉O₁₁
• 分子量: 701.693
• InChiKey: KXTMFQIGICTFOY-DQEYMECFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.26
• 重原子数：
  50.0
• 可旋转键数：
  20.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  288.31
• 氢给体数：
  5.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  N-Boc-N-methyl-N'-methyl-1,2-diamino-2-methylpropane 、 在 1-羟基苯并三唑 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以100%的产率得到4-((2S,5S)-13-azido-5-isopropyl-4,7-dioxo-2-(3-ureidopropyl)-8,11-dioxa-3,6-diazatridecanamido)benzyl tert-butyl (2-methylpropane-1,2-diyl)bis(methylcarbamate)
  参考文献：
  名称：

  [EN] NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS
  [FR] NOUVEAUX CONJUGUÉS D'ANALOGUES DE CC-1065 ET LINKERS BIFONCTIONNELS

  摘要：

  公开号：

  WO2011133039A3

文献信息

• CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS
  申请人：Syntarga B.V.

  公开号：EP2560645B1

  公开（公告）日：2016-07-13
• NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS
  申请人：Beusker Patrick Henry

  公开号：US20130224227A1

  公开（公告）日：2013-08-29

  This invention relates to novel analogs of the DNA-alkylating agent CC-1065 and to their conjugates. Furthermore this invention concerns intermediates for the preparation of said agents and conjugates. The conjugates are designed to release their (multiple) payload after one or more activation steps and/or at a rate and time span controlled by the conjugate in order to selectively deliver and/or controllably release one or more of said DNA alkylating agents. The agents, conjugates, and intermediates can be used to treat an illness that is characterized by undesired (cell) proliferation. As an example, the agents and the conjugates of this invention may be used to treat a tumor.
• Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers
  申请人：SYNTARGA BV

  公开号：US20170274090A1

  公开（公告）日：2017-09-28

  This invention relates to novel analogs of the DNA-alkylating agent CC-1065 and to their conjugates. Furthermore this invention concerns intermediates for the preparation of said agents and conjugates. The conjugates are designed to release their (multiple) payload after one or more activation steps and/or at a rate and time span controlled by the conjugate in order to selectively deliver and/or controllably release one or more of said DNA alkylating agents. The agents, conjugates, and intermediates can be used to treat an illness that is characterized by undesired (cell) proliferation. As an example, the agents and the conjugates of this invention may be used to treat a tumor.
• US9629924B2
  申请人：——

  公开号：US9629924B2

  公开（公告）日：2017-04-25