4-chloro-N-[4-[3-(hexylamino)pyrrolidin-1-yl]sulfonylphenyl]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-[4-[3-(hexylamino)pyrrolidin-1-yl]sulfonylphenyl]benzamide
• 化学式: C₂₃H₃₀ClN₃O₃S
• 分子量: 464.0
• InChiKey: OWHWVHAMTXIRII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  86.9
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Pharmaceutically active benzsulfonamide derivatives as inhibitors of protein junkinases
  申请人：——

  公开号：US20040053917A1

  公开（公告）日：2004-03-18

  The present invention is related to benzsulfonamide derivatives of formula I notably for use as pharmaceutically active compounds, as well as to pharmaceutical formulations containing such benzsulfonamide derivatives. Said benzsulfonamide derivatives are ef-ficient modulators of the JNK pathway, they are in particular efficient and selective in-hibitors of JNK 2 and 3. The present invention is furthermore related to novel benzsul-fonamide derivatives as well as to methods of their preparation (I). The compounds of formula I according to the present invention being suitable pharma-ceutical agents are those wherein Ar1 is a substituted or unsubstituted aryl or heteroaryl group. X is O or S, preferably O.R1 is hydrogen or a C1-C6-alkyl group, preferably H.R2 is hydrogen, —COOR3, —CONR3R3′, OH, a C1-C4 alkyl substituted with an OH group, a hydrazido carbonyl group, a sulfate, a sulfonate, an amine or an ammonium salt; n is either 0 or 1, preferably 1.

  本发明涉及公式I的苯磺酰胺衍生物，特别是作为药物活性化合物的用途，以及包含这种苯磺酰胺衍生物的制药配方。所述的苯磺酰胺衍生物是JNK途径的有效调节剂，特别是JNK 2和3的有效和选择性抑制剂。本发明还涉及新型苯磺酰胺衍生物以及其制备方法（I）。根据本发明的公式I化合物适合作为药物制剂的药剂学代理，其中Ar1是取代或未取代的芳基或杂环芳基基团。X是O或S，优选为O。R1是氢或C1-C6烷基，优选为H。R2是氢，-COOR3，-CONR3R3'，OH，带有OH基团的C1-C4烷基，肼基羰基基团，硫酸盐，磺酸盐，胺或铵盐；n为0或1，优选为1。
• PHARMACEUTICALLY ACTIVE BENZSULFONAMIDE DERIVATIVES AS INHIBITORS OF PROTEIN JUNKINASES
  申请人：HALAZY Serge

  公开号：US20080255222A1

  公开（公告）日：2008-10-16

  The present invention relates to benzsulfonamide derivatives of formula I and methods of use thereof. The benzsulfonamide derivatives of the present invention are efficient modulators of the JNK pathway. In particular the benzsulfonamide derivatives of the present invention are selective inhibitors of JNK 2 and 3.

  本发明涉及公式I的苯磺酰胺衍生物及其使用方法。本发明的苯磺酰胺衍生物是JNK通路的高效调节剂。特别是本发明的苯磺酰胺衍生物是JNK 2和3的选择性抑制剂。
• US7417058B2
  申请人：——

  公开号：US7417058B2

  公开（公告）日：2008-08-26
• US8008341B2
  申请人：——

  公开号：US8008341B2

  公开（公告）日：2011-08-30
• [EN] PHARMACEUTICALLY ACTIVE BENZSULFONAMIDE DERIVATIVES AS INHIBITORS OF PROTEIN JUNKINASES<br/>[FR] DERIVES DE BENZSULFAMIDE PHARMACEUTIQUEMENT ACTIFS COMME INHIBITEURS DE JUNKINASES DE PROTEINE
  申请人：APPLIED RESEARCH SYSTEMS

  公开号：WO2002026711A1

  公开（公告）日：2002-04-04

  The present invention is related to benzsulfonamide derivatives of formula I notably for use as pharmaceutically active compounds, as well as to pharmaceutical formulations containing such benzsulfonamide derivatives. Said benzsulfonamide derivatives are ef-ficient modulators of the JNK pathway, they are in particular efficient and selective in-hibitors of JNK 2 and 3. The present invention is furthermore related to novel benzsul-fonamide derivatives as well as to methods of their preparation (I). The compounds of formula I according to the present invention being suitable pharma-ceutical agents are those wherein Ar1 is a substituted or unsubstituted aryl or heteroaryl group.X is O or S, preferably O.R1 is hydrogen or a C1-C6-alkyl group, preferably H.R2 is hydrogen, -COOR3, -CONR3R3', OH, a C1-C4 alkyl substituted with an OH group, a hydrazido carbonyl group, a sulfate, a sulfonate, an amine or an ammonium salt; n is either 0 or 1, preferably 1.