ethyl 2-(2,3-dichloro-N-(4-chlorophenyl)sulfonylanilino)acetate | 947407-73-0

• 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: ethyl 2-(2,3-dichloro-N-(4-chlorophenyl)sulfonylanilino)acetate
• CAS: 947407-73-0
• 化学式: C₁₆H₁₄Cl₃NO₄S
• 分子量: 422.716
• InChiKey: YBIXABMOLNHODI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 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：

  ethyl 2-(2,3-dichloro-N-(4-chlorophenyl)sulfonylanilino)acetate 在 一水合肼 、 三氯氧磷 作用下， 反应 0.5h， 生成 4-chloro-N-(2,3-dichlorophenyl)-N-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
  参考文献：
  名称：

  Identification and optimization of novel 1,3,4-oxadiazole EP1 receptor antagonists

  摘要：

  A novel series of oxadiazole EP1 receptor antagonists was identified by replacing the amide of a known glycine sulfonamide derivative with a 1,3,4-oxadiazole. Optimization of the substitution patterns on the three aromatic rings led to the identification of high affinity EP1 receptor antagonists. The derivative with highest affinity displayed a binding IC50 of 2.5 nM (pIC(50) 8.6). (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.014
• 作为产物：
  描述：

  2,3-二氯苯胺 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 ethyl 2-(2,3-dichloro-N-(4-chlorophenyl)sulfonylanilino)acetate
  参考文献：
  名称：

  Identification and optimization of novel 1,3,4-oxadiazole EP1 receptor antagonists

  摘要：

  A novel series of oxadiazole EP1 receptor antagonists was identified by replacing the amide of a known glycine sulfonamide derivative with a 1,3,4-oxadiazole. Optimization of the substitution patterns on the three aromatic rings led to the identification of high affinity EP1 receptor antagonists. The derivative with highest affinity displayed a binding IC50 of 2.5 nM (pIC(50) 8.6). (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.014

文献信息

• Identification and optimization of novel 1,3,4-oxadiazole EP1 receptor antagonists
  作者：Adrian Hall、Susan H. Brown、Anita Chowdhury、Gerard M.P. Giblin、Mairi Gibson、Mark P. Healy、David G. Livermore、Richard J. McArthur Wilson、Alan Naylor、D. Anthony Rawlings、Shilina Roman、Emma Ward、Caroline Willay

  DOI：10.1016/j.bmcl.2007.06.014

  日期：2007.8

  A novel series of oxadiazole EP1 receptor antagonists was identified by replacing the amide of a known glycine sulfonamide derivative with a 1,3,4-oxadiazole. Optimization of the substitution patterns on the three aromatic rings led to the identification of high affinity EP1 receptor antagonists. The derivative with highest affinity displayed a binding IC50 of 2.5 nM (pIC(50) 8.6). (c) 2007 Elsevier Ltd. All rights reserved.