methyl (2S)-3-phenyl-2-[[2-phenylmethoxyethyl(propan-2-yl)carbamoyl]amino]propanoate | 883973-91-9

• 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: methyl (2S)-3-phenyl-2-[[2-phenylmethoxyethyl(propan-2-yl)carbamoyl]amino]propanoate
• CAS: 883973-91-9
• 化学式: C₂₃H₃₀N₂O₄
• 分子量: 398.502
• InChiKey: KKUCWUXPRSJYEI-NRFANRHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  29
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl (2S)-3-phenyl-2-[[2-phenylmethoxyethyl(propan-2-yl)carbamoyl]amino]propanoate 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 (2S)-3-phenyl-2-[[2-phenylmethoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
  参考文献：
  名称：

  A novel series of urea-based peptidomimetic calpain inhibitors

  摘要：

  A series of peptide aldehyde derivatives in which the P-2 chiral carbon has been replaced with nitrogen were synthesized as urea-based peptidomimetic inhibitors of mu-calpain. The compounds mirrored the general SAR of peptidyl aldehyde calpain inhibitors but displayed greater selectivity for mu-calpain over cathepsin B. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.068
• 作为产物：
  描述：

  苄氧基乙醛 在 TEA 、 sodium cyanoborohydride 作用下， 以 甲醇 、 甲苯 为溶剂， 生成 methyl (2S)-3-phenyl-2-[[2-phenylmethoxyethyl(propan-2-yl)carbamoyl]amino]propanoate
  参考文献：
  名称：

  A novel series of urea-based peptidomimetic calpain inhibitors

  摘要：

  A series of peptide aldehyde derivatives in which the P-2 chiral carbon has been replaced with nitrogen were synthesized as urea-based peptidomimetic inhibitors of mu-calpain. The compounds mirrored the general SAR of peptidyl aldehyde calpain inhibitors but displayed greater selectivity for mu-calpain over cathepsin B. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.068