4-Chloro-N-[5-({[2-(5-trifluoromethyl-pyridin-2-ylamino)-ethylcarbamoyl]-methyl}-sulfamoyl)-thiophen-2-ylmethyl]-benzamide

• 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: 4-Chloro-N-[5-({[2-(5-trifluoromethyl-pyridin-2-ylamino)-ethylcarbamoyl]-methyl}-sulfamoyl)-thiophen-2-ylmethyl]-benzamide
• 英文别名: 4-chloro-N-[[5-[[2-oxo-2-[2-[[5-(trifluoromethyl)pyridin-2-yl]amino]ethylamino]ethyl]sulfamoyl]thiophen-2-yl]methyl]benzamide
• 化学式: C₂₂H₂₁ClF₃N₅O₄S₂
• 分子量: 576.02
• InChiKey: JXDGUYTXNFTAEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  37
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  166
• 氢给体数：
  4
• 氢受体数：
  11

文献信息

• Pharmaceutically active sulfonyl amino acid derivatives
  申请人：Applied Research Systems ARS Holding N.V.

  公开号：EP1088815A1

  公开（公告）日：2001-04-04

  The present invention is related to sulfonyl amino acid derivatives notably for use as pharmaceutically active compounds, as well as to pharmaceutical formulations containing such sulfonyl amino acid derivatives. Said sulfonyl amino acid are efficient modulators of the JNK pathway, they are in particular efficient inhibitors of JNK 2 and 33. The present invention is furthermore related to novel sulfonyl amino acid derivatives as well as to methods of their preparation.

  本发明涉及磺酰氨基酸衍生物，特别是用作药物活性化合物，以及含有此类磺酰氨基酸衍生物的制药配方。所述磺酰氨基酸是JNK途径的有效调节剂，它们特别是JNK 2和33的有效抑制剂。本发明还涉及新型磺酰氨基酸衍生物及其制备方法。
• PHARMACEUTICALLY ACTIVE SULFONYL AMINO ACID DERIVATIVES
  申请人：Merck Serono SA

  公开号：EP1218375B1

  公开（公告）日：2009-08-26
• US7638538B1
  申请人：——

  公开号：US7638538B1

  公开（公告）日：2009-12-29