(S)-2-((S)-2-Adamantan-1-yl-2-tert-butoxycarbonylamino-acetylamino)-propionic acid methyl ester | 882034-92-6

• 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: (S)-2-((S)-2-Adamantan-1-yl-2-tert-butoxycarbonylamino-acetylamino)-propionic acid methyl ester
• CAS: 882034-92-6
• 化学式: C₂₁H₃₄N₂O₅
• 分子量: 394.511
• InChiKey: XXZCYBJFVHVUDD-VNOIHBSGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.77
• 重原子数：
  28.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  93.73
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (S)-2-((S)-2-Adamantan-1-yl-2-tert-butoxycarbonylamino-acetylamino)-propionic acid methyl ester 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 (S)-2-((S)-2-Adamantan-1-yl-2-tert-butoxycarbonylamino-acetylamino)-propionic acid
  参考文献：
  名称：

  Seco-prolinenitrile inhibitors of dipeptidyl peptidase IV define minimal pharmacophore requirements at P1

  摘要：

  A series of seco-prolinenitrile-containing dipeptides were synthesized and assayed as inhibitors of the N-terminal sequence-specific serine protease dipeptidyl peptidase IV, a promising new target for treatment of type 2 diabetes. The inhibitors described herein assess the minimum structural requirements at P1 for this enzyme, resulting in the identification of inhibitors with low nM potency. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.098
• 作为产物：
  描述：

  3-酞酰亚胺基丙酸甲酯 、 N-叔丁氧羰基-L-金刚烷基甘氨酸 在 N-羟基-7-氮杂苯并三氮唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 (S)-2-((S)-2-Adamantan-1-yl-2-tert-butoxycarbonylamino-acetylamino)-propionic acid methyl ester
  参考文献：
  名称：

  Seco-prolinenitrile inhibitors of dipeptidyl peptidase IV define minimal pharmacophore requirements at P1

  摘要：

  A series of seco-prolinenitrile-containing dipeptides were synthesized and assayed as inhibitors of the N-terminal sequence-specific serine protease dipeptidyl peptidase IV, a promising new target for treatment of type 2 diabetes. The inhibitors described herein assess the minimum structural requirements at P1 for this enzyme, resulting in the identification of inhibitors with low nM potency. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.098