(2S)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride | 1364487-40-0

• 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-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
• CAS: 1364487-40-0
• 化学式: C₉H₁₈N₂OS*ClH
• 分子量: 238.782
• InChiKey: DWPCCYBSDLOKTF-QRPNPIFTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.97
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  71.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  tert-butyl N-[(2S)-3-methyl-1-oxo-1-thiomorpholin-4-ylbutan-2-yl]carbamate 在 盐酸 、 乙酸乙酯 作用下， 生成 (2S)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
  参考文献：
  名称：

  Design, synthesis and primary activity of thiomorpholine derivatives as DPP-IV inhibitors

  摘要：

  Thirteen thiomorpholine-bearing compounds were designed and synthesized as dipeptidyl peptidase IV (DPP-IV) inhibitors, with natural and non-natural L-amino acids as the starting materials. Their structures were characterized by H-1 NMR, C-13 NMR and HR-MS. The target compounds were screened for the DPP-IV inhibition, and the preliminary SAR result was obtained. Particularly, compounds 4c, 4d and 4f with good DPP-IV inhibition in vitro were further evaluated through a mouse oral glucose tolerance test (OGTT). The preliminary result showed the potential value for further studies on those thiomorpholine-bearing compounds as DPP-IV inhibitors. (C) 2011 Hai Hong Huang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2011.12.007

文献信息

• Design, synthesis and primary activity of thiomorpholine derivatives as DPP-IV inhibitors
  作者：Bei Han、Jing Long Liu、Yi Huan、Peng Li、Qi Wu、Zi Yun Lin、Zhu Fang Shen、Da Li Yin、Hai Hong Huang

  DOI：10.1016/j.cclet.2011.12.007

  日期：2012.3

  Thirteen thiomorpholine-bearing compounds were designed and synthesized as dipeptidyl peptidase IV (DPP-IV) inhibitors, with natural and non-natural L-amino acids as the starting materials. Their structures were characterized by H-1 NMR, C-13 NMR and HR-MS. The target compounds were screened for the DPP-IV inhibition, and the preliminary SAR result was obtained. Particularly, compounds 4c, 4d and 4f with good DPP-IV inhibition in vitro were further evaluated through a mouse oral glucose tolerance test (OGTT). The preliminary result showed the potential value for further studies on those thiomorpholine-bearing compounds as DPP-IV inhibitors. (C) 2011 Hai Hong Huang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.