(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylcarbamoyl)phenyl]propanoic acid | 1380650-74-7

• 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-[(2,6-dichlorobenzoyl)amino]-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylcarbamoyl)phenyl]propanoic acid
• CAS: 1380650-74-7
• 化学式: C₂₆H₂₄Cl₂N₄O₄
• 分子量: 527.407
• InChiKey: QKJVOACJWLIFLA-NRFANRHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  120
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  生成 (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylcarbamoyl)phenyl]propanoic acid
  参考文献：
  名称：

  Structure–activity relationship of a series of non peptidic RGD integrin antagonists targeting α5β1: Part 1

  摘要：

  Potent antagonists of the integrin alpha(5)beta(1), which are RGD mimetics built from tyrosine are described. This letter describes the optimization of in vitro potency obtained by variation of two parts of the molecule, the basic group and the linker between the basic group and the phenyl central core. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.063