(1S)-1-amino-2-but-3-enylcyclopropane-1-carboxylic acid

• 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-amino-2-but-3-enylcyclopropane-1-carboxylic acid
• 化学式: C₈H₁₃NO₂
• 分子量: 155.19
• InChiKey: SIKOJODOMOMFAX-XDKWHASVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• [EN] PEPTIDOMIMETIC COMPOUNDS<br/>[FR] COMPOSÉS PEPTIDOMIMÉTIQUES
  申请人：NOLIVA THERAPEUTICS LLC

  公开号：WO2014110420A1

  公开（公告）日：2014-07-17

  The present invention relates to inhibitors of protein-protein interactions (PPI). Specifically, the present invention relates to a structural informatics approach to designing peptidomimetic macrocycles containing an amino acid "warhead" for ligand-directed covalent modification of cysteine and lysine-containing proteins for the treatment of diseases such as cancer. Further included is the targeting of components of the BCL2 signaling pathway, specifically BCL2-A1.and MCL-1.