(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-fluoro-2-nitrophenyl)propanoic 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: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-fluoro-2-nitrophenyl)propanoic acid
• 化学式: C24H19FN2O6
• 分子量: 450.4
• InChiKey: DVHBHXSRNOPYDV-NRFANRHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• Peptidomimetic compounds
  申请人：Noliva Therapeutics LLC

  公开号：US10011639B2

  公开（公告）日：2018-07-03

  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.

  本发明涉及蛋白质-蛋白质相互作用（PPI）的抑制剂。具体而言，本发明涉及一种结构信息学方法，用于设计含有氨基酸 "弹头 "的拟肽大环，以配体定向共价修饰含半胱氨酸和赖氨酸的蛋白质，治疗癌症等疾病。此外，还包括针对 BCL2 信号通路成分的研究，特别是 BCL2-A1 和 MCL-1。
• PEPTIDOMIMETIC COMPOUNDS
  申请人：NOLIVA THERAPEUTICS LLC

  公开号：US20150353606A1

  公开（公告）日：2015-12-10

  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.
• US9493510B2
  申请人：——

  公开号：US9493510B2

  公开（公告）日：2016-11-15
• [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.