(S,E)-ethyl 4-((S)-2-amino-N,3-dimethylbutanamido)-2,5-dimethylhex-2-enoate

• 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: (S,E)-ethyl 4-((S)-2-amino-N,3-dimethylbutanamido)-2,5-dimethylhex-2-enoate
• 英文别名: ethyl (E,4S)-4-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoate
• 化学式: C₁₆H₃₀N₂O₃
• 分子量: 298.426
• InChiKey: GRNPXQVFTPZKBL-NEKXEHSPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  72.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  甲乙酐 、 (S,E)-ethyl 4-((S)-2-amino-N,3-dimethylbutanamido)-2,5-dimethylhex-2-enoate 以 二氯甲烷 为溶剂， 反应 18.0h， 以100%的产率得到(S,E)-ethyl 4-((S)-2-formamido-N,3-dimethylbutanamido)-2,5-dimethylhex-2-enoate
  参考文献：
  名称：

  Complementary isonitrile-based multicomponent reactions for the synthesis of diversified cytotoxic hemiasterlin analogues

  摘要：

  一种多组分策略被证明适用于简洁和集中地生成半星霉素衍生物，还包括非肽类类似物。

  DOI：

  10.1039/c5ob01882j

文献信息

• Hemiasterlin derivatives and uses thereof in the treatment of cancer
  申请人：Kowalczyk J. James

  公开号：US20080051434A1

  公开（公告）日：2008-02-28

  The present invention provides compounds having formula (I): and additionally provides methods for the synthesis thereof and methods for the use thereof in the treatment of cancer, wherein R 1 -R 7 , X 1 , X 2 , R, Q, and n are as defined herein.
• Hemiasterlin Derivatives and Uses Thereof
  申请人：Campagna Silvio A.

  公开号：US20080108820A1

  公开（公告）日：2008-05-08

  The present invention provides compounds having formula (I): and additionally provides methods for the synthesis thereof and methods for the use thereof in the treatment of cancer, wherein R 1 -R 7 , X 1 , X 2 , R, Q, and n are as defined herein.
• HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER
  申请人：KOWALCZYK James J.

  公开号：US20100063095A1

  公开（公告）日：2010-03-11

  The present invention provides compounds having formula (I): and additionally provides methods for the synthesis thereof and methods for the use thereof in the treatment of cancer, wherein R 1 -R 7 , X 1 , X 2 , R, Q, and n are as defined herein.
• US7192972B2
  申请人：——

  公开号：US7192972B2

  公开（公告）日：2007-03-20
• US7528152B2
  申请人：——

  公开号：US7528152B2

  公开（公告）日：2009-05-05