2-[(2-Chloro-phenyl)-methanesulfonyl-amino]-propionic acid ethyl ester | 71273-36-4

• 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-[(2-Chloro-phenyl)-methanesulfonyl-amino]-propionic acid ethyl ester
• 英文别名: ethyl 2-(N-(2-chlorophenyl)methylsulfonamido)propanoate；ethyl 2-(2-chloro-N-methylsulfonylanilino)propanoate
• CAS: 71273-36-4
• 化学式: C₁₂H₁₆ClNO₄S
• 分子量: 305.782
• InChiKey: XXTUZBXJYAKICA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[(2-Chloro-phenyl)-methanesulfonyl-amino]-propionic acid ethyl ester 在 甲醇 、 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 以99%的产率得到2-(N-(2-chlorophenyl)methylsulfonamido)propanoic acid
  参考文献：
  名称：

  Discovery and SAR of a novel series of non-MPEP site mGlu5 PAMs based on an aryl glycine sulfonamide scaffold

  摘要：

  Herein we report the discovery and SAR of a novel series of non-MPEP site metabotropic glutamate receptor 5 (mGlu(5)) positive allosteric modulators (PAMs) based on an aryl glycine sulfonamide scaffold. This series represents a rare non-MPEP site mGlu(5) PAM chemotype. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.068
• 作为产物：
  描述：

  邻氯苯胺 在 吡啶 、 sodium hydride 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-[(2-Chloro-phenyl)-methanesulfonyl-amino]-propionic acid ethyl ester
  参考文献：
  名称：

  Discovery and SAR of a novel series of non-MPEP site mGlu5 PAMs based on an aryl glycine sulfonamide scaffold

  摘要：

  Herein we report the discovery and SAR of a novel series of non-MPEP site metabotropic glutamate receptor 5 (mGlu(5)) positive allosteric modulators (PAMs) based on an aryl glycine sulfonamide scaffold. This series represents a rare non-MPEP site mGlu(5) PAM chemotype. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.068

文献信息

• Discovery and SAR of a novel series of non-MPEP site mGlu5 PAMs based on an aryl glycine sulfonamide scaffold
  作者：Alice L. Rodriguez、Ya Zhou、Richard Williams、C. David Weaver、Paige N. Vinson、Eric S. Dawson、Thomas Steckler、Hilde Lavreysen、Claire Mackie、José M. Bartolomé、Gregor J. Macdonald、J. Scott Daniels、Colleen M. Niswender、Carrie K. Jones、P. Jeffrey Conn、Craig W. Lindsley、Shaun R. Stauffer

  DOI：10.1016/j.bmcl.2012.10.068

  日期：2012.12

  Herein we report the discovery and SAR of a novel series of non-MPEP site metabotropic glutamate receptor 5 (mGlu(5)) positive allosteric modulators (PAMs) based on an aryl glycine sulfonamide scaffold. This series represents a rare non-MPEP site mGlu(5) PAM chemotype. (C) 2012 Elsevier Ltd. All rights reserved.