Boc-Gly(tBu)-N(Me)Ala-NH2 | 681282-77-9

• 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: Boc-Gly(tBu)-N(Me)Ala-NH2
• 英文别名: tert-butyl N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
• CAS: 681282-77-9
• 化学式: C₁₅H₂₉N₃O₄
• 分子量: 315.413
• InChiKey: XJTBUVLCQPGOQS-VHSXEESVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Boc-Gly(tBu)-N(Me)Ala-NH2 在 三氟乙酸酐 作用下， 以 二氯甲烷 为溶剂， 生成 tert-butyl N-[(2S)-1-[[(1S)-1-cyanoethyl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
  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：

  N-Boc-L-叔亮氨酸 在 sodium hydroxide 、 N-羟基-7-氮杂苯并三氮唑 、 N-甲基吲哚酮 、 氨 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 氯甲酸异丁酯 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 Boc-Gly(tBu)-N(Me)Ala-NH2
  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

文献信息

• Seco-prolinenitrile inhibitors of dipeptidyl peptidase IV define minimal pharmacophore requirements at P1
  作者：David R. Magnin、Prakash C. Taunk、James G. Robertson、Aiying Wang、Jovita Marcinkeviciene、Mark S. Kirby、Lawrence G. Hamann

  DOI：10.1016/j.bmcl.2005.11.098

  日期：2006.3

  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.