2-amino-1-thiomorpholino-ethanone hydrochloride | 164348-45-2

• 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: 2-amino-1-thiomorpholino-ethanone hydrochloride
• 英文别名: 2-Amino-1-thiomorpholin-4-ylethanone;hydrochloride
• CAS: 164348-45-2
• 化学式: C₆H₁₂N₂OS*ClH
• 分子量: 196.701
• InChiKey: NDMZAXQCMWOSQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.06
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  71.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-amino-1-thiomorpholino-ethanone hydrochloride 在 4-二甲氨基吡啶 吡啶 、 caesium carbonate 作用下， 以 1,2-二氯乙烷 、 甲苯 为溶剂， 反应 33.5h， 生成 methyl 5-(3,3-dimethylbut-1-ynyl)-3-[(trans-4-methylcyclohexanecarbonyl)-(2-oxo-2-thiomorpholino-ethyl)amino]thiophene-2-carboxylate
  参考文献：
  名称：

  [EN] COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS
  [FR] COMPOSÉS ET MÉTHODES POUR LE TRAITEMENT OU LA PRÉVENTION D'INFECTIONS PAR FLAVIVIRUS

  摘要：

  公开号：

  WO2012006055A3
• 作为产物：
  描述：

  tert-butyl N-(2-oxo-2-thiomorpholino-ethyl)carbamate 在 盐酸 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 16.0h， 以68%的产率得到2-amino-1-thiomorpholino-ethanone hydrochloride
  参考文献：
  名称：

  [EN] COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS
  [FR] COMPOSÉS ET MÉTHODES POUR LE TRAITEMENT OU LA PRÉVENTION D'INFECTIONS PAR FLAVIVIRUS

  摘要：

  公开号：

  WO2012006055A3

文献信息

• COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20130190289A1

  公开（公告）日：2013-07-25

  A compound is represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof, wherein the variables of Structural Formula (I) are as described in the specification and the claims. A pharmaceutical composition comprises a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier of excipient. A method of treating a HCV infection in a subject comprises administering to the subject a therapeutically effective amount of a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof. A method of inhibiting or reducing the activity of HCV polymerase in a subject or in a biological in vitro sample comprises administering to the subject or to the sample a therapeutically effective amount of a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof.

  一种化合物由结构式(I)或其药学上可接受的盐所代表，其中结构式(I)的变量如规范和权利要求所描述。一种药物组合物包括一种由结构式(I)或其药学上可接受的盐所代表的化合物，以及药学上可接受的载体或赋形剂。一种治疗HCV感染的方法包括向受试者施用一种由结构式(I)或其药学上可接受的盐所代表的治疗有效量的化合物。一种抑制或减少受试者或生物体外样本中HCV聚合酶活性的方法包括向受试者或样本中施用一种由结构式(I)或其药学上可接受的盐所代表的治疗有效量的化合物。
• [EN] COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS<br/>[FR] COMPOSÉS ET MÉTHODES POUR LE TRAITEMENT OU LA PRÉVENTION D'INFECTIONS PAR FLAVIVIRUS
  申请人：VERTEX PHARMA

  公开号：WO2012006055A3

  公开（公告）日：2012-03-01
• 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.