2-(N-(2-chlorophenyl)methylsulfonamido)propanoic acid | 1415403-48-3

• 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-(N-(2-chlorophenyl)methylsulfonamido)propanoic acid
• 英文别名: 2-(2-chloro-N-methylsulfonylanilino)propanoic acid
• CAS: 1415403-48-3
• 化学式: C₁₀H₁₂ClNO₄S
• 分子量: 277.729
• InChiKey: FPIJJCADZAQWGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(N-(2-chlorophenyl)methylsulfonamido)propanoic acid 、 3-氯苯胺 在 2,6-二甲基吡啶 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-(2-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)propanamide
  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：

  N‐(2‐chlorophenyl)methanesulfonamide 在 甲醇 、 sodium hydride 、 lithium hydroxide 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 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

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.