N-(2,3-Dichlorophenyl)-N-[(4-methylphenyl)sulfonyl]glycine | 884987-17-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(2,3-Dichlorophenyl)-N-[(4-methylphenyl)sulfonyl]glycine
• 英文别名: 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetic acid
• CAS: 884987-17-1
• 化学式: C₁₅H₁₃Cl₂NO₄S
• mdl: MFCD07437540
• 分子量: 374.245
• InChiKey: DBDTYLWTXNYKJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 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：

  N-(2,3-Dichlorophenyl)-N-[(4-methylphenyl)sulfonyl]glycine 、 1-氨基-3-(4-甲氧基苯基)脲 在 三氯氧磷 作用下， 反应 0.33h， 生成 N-(2,3-dichlorophenyl)-N-[[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]methyl]-4-methylbenzenesulfonamide
  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 hydroxide 、 sodium hydride 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-(2,3-Dichlorophenyl)-N-[(4-methylphenyl)sulfonyl]glycine
  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

• SULFONAMIDE COMPOUND OR SALT THEREOF
  申请人：Kubota Hideki

  公开号：US20090312328A1

  公开（公告）日：2009-12-17

  [Object] A compound that can be used as an agent for treating a disease associated with an EP1 receptor, in particular, a lower urinary tract symptom. [Means for Solution] It was confirmed that a sulfonamide compound having an amide structure and characterized by a chemical structure in which a carbon atom in the amide bonds to the N atom in sulfonamide through lower alkylene, or a salt thereof, has a potent EP1 receptor antagonistic activity, accomplishing the present invention. Since the sulfonamide compound of the present invention or a pharmaceutically acceptable salt thereof has a potent EP1 receptor antagonistic activity, it is useful as an agent for treating a disease associated with an EP1 receptor, in particular, a lower urinary tract symptom.

  [物品] 一种化合物，可用作治疗与EP1受体相关的疾病的药剂，特别是下尿路症状的药剂。 [解决方案的手段] 确认了一种磺酰胺化合物，具有酰胺结构，其化学结构中的碳原子通过较低的烷基与磺酰胺中的N原子结合，或其盐，具有强大的EP1受体拮抗活性，从而实现了本发明。由于本发明的磺酰胺化合物或其药学上可接受的盐具有强大的EP1受体拮抗活性，因此它可用作治疗与EP1受体相关的疾病的药剂，特别是下尿路症状的药剂。
• EP2050446B1
  申请人：——

  公开号：EP2050446B1

  公开（公告）日：2014-05-07
• US7973078B2
  申请人：——

  公开号：US7973078B2

  公开（公告）日：2011-07-05
• 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.