4-Chloro-N-(5-{4-[1-(2,6-dichloro-phenyl)-methanoyl]-piperazine-1-sulfonyl}-thiophen-2-ylmethyl)-benzamide

• 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: 4-Chloro-N-(5-{4-[1-(2,6-dichloro-phenyl)-methanoyl]-piperazine-1-sulfonyl}-thiophen-2-ylmethyl)-benzamide
• 英文别名: 4-chloro-N-[[5-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
• 化学式: C₂₃H₂₀Cl₃N₃O₄S₂
• 分子量: 572.92
• InChiKey: HYJJWJZEQVCURL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  123
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Pharmaceutically active sulfonamide derivatives
  申请人：Applied Research Systems ARS Holding N.V.

  公开号：EP1088821A1

  公开（公告）日：2001-04-04

  The present invention is related to sulfonamide derivatives of formula I notably for use as pharmaceutically active compounds, as well as to pharmaceutical formulations containing such sulfonamide derivatives. Said sulfonamide derivatives are efficient modulators of the JNK pathway, they are in particular efficient and selective inhibitors of JNK 2 and 3. The present invention is furthermore related to novel sulfonamide derivatives as well as to methods of their preparation. The compounds of formula I according to the present invention being suitable pharmaceutical agents are those wherein Ar1 and Ar2 are independently from each other substituted or unsubstituted aryl or heteroaryl groups, X is O or S, preferably O; R1 is hydrogen or a C1-C6-alkyl group, preferably H, or R1 forms a substituted or unsubstituted 5-6-membered saturated or non-saturated ring with Ar1; n is an integer from 0 to 5, preferably between 1-3 and most preferred 1. Y within formula I is an unsubstituted or a substituted 4-12-membered saturated cyclic or bicyclic alkyl containing at least one nitrogen atom, whereby one nitrogen atom within said ring is forming a bond with the sulfonyl group of formula I thus providing the sulfonamide.

  本发明涉及公式I的磺酰胺衍生物，特别是用作药物活性化合物，以及含有这种磺酰胺衍生物的制药配方。所述磺酰胺衍生物是JNK途径的高效调节剂，特别是JNK2和3的高效且选择性抑制剂。本发明还涉及新型磺酰胺衍生物以及它们的制备方法。本发明中适合用作药物剂的公式I化合物是Ar1和Ar2分别独立于彼此的取代或未取代芳基或杂环芳基基团，X为O或S，优选为O；R1为氢或C1-C6烷基，优选为H，或R1与Ar1形成取代或未取代的5-6成员饱和或不饱和环；n为0到5的整数，优选为1-3，最优选为1。公式I中的Y是未取代或取代的4-12成员饱和环或双环烷基，其中至少有一个氮原子，该环中的一个氮原子与公式I中的磺酰基形成键合，从而提供磺酰胺。
• [EN] PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES<br/>[FR] DERIVES SULFONAMIDES ACTIFS SUR LE PLAN PHARMACOLOGIQUE
  申请人：APPLIED RESEARCH SYSTEMS

  公开号：WO2001023378A1

  公开（公告）日：2001-04-05

  The present invention is related to sulfonamide derivatives of formula (I) notably for use as pharmaceutically active compounds, as well as to pharmaceutical formulations containing such sulfonamide derivatives. Said sulfonamide derivatives are efficient modulators of the JNK pathway, they are in particular efficient and selective inhibitors of JNK 2 and 3. The present invention is furthermore related to novel sulfonamide derivatives as well as to methods of their preparation. The compounds of formula (I) according to the present invention being suitable pharmaceutical agents are those wherein Ar?1 and Ar2¿ are independently from each other substituted or unsubstituted aryl or heteroaryl groups, X is O or S, preferably O; R1 is hydrogen or a C¿1?-C6-alkyl group, or R?1¿ forms a substituted or unsubstituted 5-6-membered saturated or unsaturated ring with Ar1; n is an integer from 0 to 5, preferably between 1-3 and most preferred 1; Y within formula (I) is an unsubstituted or a substituted 4-12-membered saturated cyclic or bicyclic alkyl containing at least one nitrogen atom, whereby one nitrogen atom within said ring is forming a bond with the sulfonyl group of formula (I) thus providing a sulfonamide.

  本发明涉及公式（I）的磺酰胺衍生物，特别是作为药物活性化合物的用途，以及包含这种磺酰胺衍生物的制药配方。所述的磺酰胺衍生物是JNK通路的有效调节因子，特别是JNK 2和3的有效且选择性抑制剂。本发明还涉及新的磺酰胺衍生物以及其制备方法。根据本发明的公式（I）化合物适合作为药物代理，其中Ar?1和Ar2¿是独立于彼此的取代或未取代的芳基或杂环芳基基团，X为O或S，优选为O; R1是氢或C¿1?-C6烷基，或R?1¿与Ar1形成取代或未取代的5-6成员饱和或不饱和环；n为0到5的整数，优选为1-3，最优选为1；公式（I）中的Y是未取代或取代的4-12成员饱和环或双环烷基，其中至少有一个氮原子，在该环内与公式（I）的磺酰基形成化学键，从而提供磺酰胺。
• PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES
  申请人：Applied Research Systems ARS Holding N.V.

  公开号：EP1218374B1

  公开（公告）日：2005-11-16
• SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES
  申请人：Applied Research Systems ARS Holding N.V.

  公开号：EP1663193A1

  公开（公告）日：2006-06-07
• COMPOSITION COMPRISING A JNK INHIBITOR AND CYCLOSPORIN
  申请人：Laboratoires Serono SA

  公开号：EP1850846A1

  公开（公告）日：2007-11-07