(S)-2-(2-(tert-butoxy)-2-oxoethyl)-5-cyclohexylpentanoic acid | 1094209-51-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (S)-2-(2-(tert-butoxy)-2-oxoethyl)-5-cyclohexylpentanoic acid
• CAS: 1094209-51-4
• 化学式: C₁₇H₃₀O₄
• 分子量: 298.423
• InChiKey: VVYVFZRWUJASEV-AWEZNQCLSA-N

物化性质

• 沸点：
  417.4±28.0 °C(Predicted)
• 密度：
  1.025±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.17
• 重原子数：
  21.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  63.6
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  ethyl 2-oximinooxamate 、 (S)-2-(2-(tert-butoxy)-2-oxoethyl)-5-cyclohexylpentanoic acid 在 1-羟基苯并三唑 作用下， 以 1,4-二氧六环 为溶剂， 生成
  参考文献：
  名称：

  Succinyl hydroxamates as potent and selective non-peptidic inhibitors of procollagen C-proteinase: Design, synthesis, and evaluation as topically applied, dermal anti-scarring agents

  摘要：

  Succinyl hydroxamates 1 and 2 are disclosed as novel series of potent and selective inhibitors of procollagen C-proteinase (PCP) which may have potential as anti-fibrotic agents. Carboxamide 7 demonstrated good PCP inhibition and had excellent selectivity over MMPs involved in wound healing. In addition, 7 was effective in a cell-based model of collagen deposition (fibroplasia model) and was very effective at penetrating human skin in vitro. Compound 7 (UK-383,367) was selected as a candidate for evaluation in clinical studies as a topically applied, dermal anti-scarring agent. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.036