3-[(4-chloro-benzyl)-(1-methyl-1H-pyrazole-3-sulfonyl)-amino]-N-cyclopentyl-benzamide | 1214251-45-2

• 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: 3-[(4-chloro-benzyl)-(1-methyl-1H-pyrazole-3-sulfonyl)-amino]-N-cyclopentyl-benzamide
• 英文别名: 3-[(4-chlorophenyl)methyl-(1-methylpyrazol-3-yl)sulfonylamino]-N-cyclopentylbenzamide
• CAS: 1214251-45-2
• 化学式: C₂₃H₂₅ClN₄O₃S
• 分子量: 472.995
• InChiKey: XNAYVTYCNXPWLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  92.7
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• [EN] NOVEL POTASSIUM CHANNEL BLOCKERS<br/>[FR] NOUVEAUX BLOQUANTS DU CANAL POTASSIQUE
  申请人：XENTION LTD

  公开号：WO2010023448A1

  公开（公告）日：2010-03-04

  The present invention provides a compound of formula (I) or its salts or pharmaceutically acceptable derivatives thereof wherein; X1 is selected from a group consisting of CH2, C(=O), C(=NH), NC(=O), R1 is selected from the group consisting of optionally substituted arylalkyl, and optionally substituted heteroarylalkyl R2 is selected from the group consisting of optionally substituted alkyl, optionally substituted aryl or heteroaryl or NR24R25, R3 is selected from the group consisting of hydrogen, halogen, hydroxyl, alkoxy, aryloxy, optionally substituted alkyl, optionally substituted amino, optionally substituted amino sulfonyl or nitrile; R4 is selected from the group consisting of optionally substituted alkyl, optionally substituted cycloalkyl, optionally substituted heterocycloalkyl, optionally substituted acyl, optionally substituted sulfonyl, optionally substituted sulfamoyl, optionally substituted aryl, optionally substituted arylalkyl, and optionally substituted heteroaryl R5 may be hydrogen, an optionally substituted alkyl, preferably CH3 or, NR4R5 may form an optionally substituted saturated or partially saturated 4-7 membered ring with the general formula (II). Wherein; X2 is C(=O), CH2, CH(R6) or C(R6)(R6), X3 is CH2, CH(R7), C(R7)(R7), NH, N(R8), O or S Each R6 independently represents optionally substituted amino, optionally substituted amino carbonyl, hydroxyl, optionally substituted acyl, optionally substituted alkoxy, optionally substituted aryloxy, optionally substituted alkyl, optionally substituted cycloalkyl, optionally substituted arylalky, optionally substituted aryl or optionally substituted heteroaryl; Each R7 independently represents optionally substituted amino, optionally substituted amino carbonyl, hydroxyl, optionally substituted acyl, optionally substituted alkoxy, optionally substituted aryloxy, optionally substituted alkyl, optionally substituted cycloalkyl, optionally substituted arylalky, optionally substituted aryl or optionally substituted heteroaryl R8 is optionally substituted acyl, optionally substituted alkyl, optionally substituted cycloalkyl, optionally substituted arylalkyl, optionally substituted aryl or optionally substituted heteroaryl; R24 and R25 are the same or different and each represents hydrogen, optionally substituted alkyl, optionally substituted cycloalkyl, optionally substituted arylalkyl, optionally substituted aryl or optionally substituted heteroaryl, n = 1 or 2 m = 1, 2 or 3 With the proviso that when X1 is C=O and R5 is H then R4 is not (a) or (b) or (c). Where R4a, R5a and R6a are each independently H, C1-6alkyl, aryl, heteroaryl, cycloalkyl, or aryl-C1-6alkyl; R10a is H or C1-6alkyl; and R11a is C1-6alkyl or aryl-C1-6alkyl and when X1 is C=O or CH2 and R5 is H then R4 is not (d) Where q is 0 to 5, R3b is H, OH or alkoxy and R4b is NH2, phenyl or a C3-10 heterocycle. The compounds are useful as potassium ion channel inhibitors.

  本发明提供了一种化合物的结构式(I)或其盐或药学上可接受的衍生物，其中; X1选自CH2，C(=O)，C(=NH)，NC(=O)，R1选自可选择的取代芳基烷基和可选择的取代杂环烷基；R2选自可选择的取代烷基，可选择的取代芳基或杂环芳基或NR24R25，R3选自氢，卤素，羟基，烷氧基，芳氧基，可选择的取代烷基，可选择的取代氨基，可选择的取代氨基磺酰基或腈基；R4选自可选择的取代烷基，可选择的取代环烷基，可选择的取代杂环烷基，可选择的取代酰基，可选择的取代磺酰基，可选择的取代磺胺基，可选择的取代芳基，可选择的取代芳基烷基和可选择的取代杂环烷基；R5可以是氢，可选择的取代烷基，优选CH3或，NR4R5可以形成一个带有通式(II)的可选择取代饱和或部分饱和的4-7成员环。其中; X2为C(=O)， ，CH(R6)或C(R6)(R6)，X3为 ，CH(R7)，C(R7)(R7)，NH，N(R8)，O或S，每个R6独立表示可选择的取代氨基，可选择的取代氨基羰基，羟基，可选择的取代酰基，可选择的取代烷氧基，可选择的取代芳氧基，可选择的取代烷基，可选择的取代环烷基，可选择的取代芳基烷基，可选择的取代芳基或可选择的取代杂环基；每个R7独立表示可选择的取代氨基，可选择的取代氨基羰基，羟基，可选择的取代酰基，可选择的取代烷氧基，可选择的取代芳氧基，可选择的取代烷基，可选择的取代环烷基，可选择的取代芳基烷基，可选择的取代芳基或可选择的取代杂环基R8为可选择的取代酰基，可选择的取代烷基，可选择的取代环烷基，可选择的取代芳基烷基，可选择的取代芳基或可选择的取代杂环基；R24和R25相同或不同，每个都表示氢，可选择的取代烷基，可选择的取代环烷基，可选择的取代芳基烷基，可选择的取代芳基或可选择的取代杂环基，n=1或2，m=1、2或3，但当X1为C=O且R5为H时，则R4不是(a)或(b)或(c)。其中R4a，R5a和R6a各自独立地为H，C1-6烷基，芳基，杂环基，环烷基或芳基-C1-6烷基；R10a为H或C1-6烷基；R11a为C1-6烷基或芳基-C1-6烷基，当X1为C=O或 且R5为H时，则R4不是(d)。其中q为0至5，R3b为H，OH或烷氧基，R4b为NH2，苯基或C3-10杂环。这些化合物可用作钾离子通道抑制剂。
• Novel Potassium Channel Blockers
  申请人：Mulla Mushtaq

  公开号：US20100087428A1

  公开（公告）日：2010-04-08

  The present invention provides a compound of formula (I) or its salts or pharmaceutically acceptable derivatives thereof wherein; X 1 is selected from a group consisting of CH 2 , C(═O), C(═NH), NC(═O), R 1 is selected from the group consisting of optionally substituted arylalkyl, and optionally substituted heteroarylalkyl R 2 is selected from the group consisting of optionally substituted alkyl, optionally substituted aryl or heteroaryl or NR 24 R 25 R 3 is selected from the group consisting of hydrogen, halogen, hydroxyl, alkoxy, aryloxy, optionally substituted alkyl, optionally substituted amino, optionally substituted amino sulfonyl or nitrile; R 4 is selected from the group consisting of optionally substituted alkyl, optionally substituted cycloalkyl, optionally substituted heterocycloalkyl, optionally substituted acyl, optionally substituted sulfonyl, optionally substituted sulfamoyl, optionally substituted aryl, optionally substituted arylalkyl, and optionally substituted heteroaryl R 5 may be hydrogen, an optionally substituted alkyl, preferably CH 3 or, NR 4 R 5 may form an optionally substituted saturated or partially saturated 4-7 membered ring with the general formula (II). Wherein; X 2 is C(═O), CH 2 , CH(R 6 ) or C(R 6 )(R 6 ), X 3 is CH 2 , CH(R 7 ), C(R 7 )(R 7 ), NH, N(R 8 ), O or S Each R 6 independently represents optionally substituted amino, optionally substituted amino carbonyl, hydroxyl, optionally substituted acyl, optionally substituted alkoxy, optionally substituted aryloxy, optionally substituted alkyl, optionally substituted cycloalkyl, optionally substituted arylalky, optionally substituted aryl or optionally substituted heteroaryl; Each R 7 independently represents optionally substituted amino, optionally substituted amino carbonyl, hydroxyl, optionally substituted acyl, optionally substituted alkoxy, optionally substituted aryloxy, optionally substituted alkyl, optionally substituted cycloalkyl, optionally substituted arylalky, optionally substituted aryl or optionally substituted hetero aryl R 8 is optionally substituted acyl, optionally substituted alkyl, optionally substituted cycloalkyl, optionally substituted arylalkyl, optionally substituted aryl or optionally substituted heteroaryl; R 24 and R 25 are the same or different and each represents hydrogen, optionally substituted alkyl, optionally substituted cycloalkyl, optionally substituted arylalkyl, optionally substituted aryl or optionally substituted heteroaryl, n=1 or 2 m=1, 2 or 3 With the proviso that when X 1 is C═O and R 5 is H then R 4 is not: Or Or Where R 4 a, R 5 a and R 6 a are each independently H, C 1-6 alkyl, aryl, heteroaryl, cycloalkyl, or aryl-C 1-6 alkyl; R 10 a is H or C 1-6 alkyl; and R 11 a is C 1-6 alkyl or aryl-C 1-6 alkyl and when X 1 is C═O or CH 2 and R 5 is H then R 4 is not: Where q is 0 to 5, R 3 b is H, OH or alkoxy and R 4 b is NH 2 , phenyl or a C 3-10 heterocycle. The compounds are useful as potassium ion channel inhibitors.

  本发明提供了式（I）的化合物或其盐或药学上可接受的衍生物，其中： X1选择自群组，所述群组由CH2，C（═O），C（═NH），NC（═O）组成， R1选择自群组，所述群组由可选取代的芳基烷基和可选取代的杂芳基烷基组成， R2选择自群组，所述群组由可选取代的烷基，可选取代的芳基或杂芳基或NR24R25组成， R3选择自群组，所述群组由氢，卤素，羟基，烷氧基，芳氧基，可选取代的烷基，可选取代的氨基，可选取代的氨基磺酰基或腈组成； R4选择自群组，所述群组由可选取代的烷基，可选取代的环烷基，可选取代的杂环烷基，可选取代的酰基，可选取代的磺酰基，可选取代的磺酰胺基，可选取代的芳基，可选取代的芳基烷基和可选取代的杂芳基组成， R5可以是氢，可选取代的烷基，优选CH3或NR4R5可以形成具有一般式（II）的可选取代的饱和或部分饱和的4-7成员环： 其中，X2为C（═O）， ，CH（R6）或C（R6）（R6）， X3为 ，CH（R7），C（R7）（R7），NH，N（R8），O或S， 每个R6独立地表示可选取代的氨基，可选取代的氨基羰基，羟基，可选取代的酰基，可选取代的烷氧基，可选取代的芳氧基，可选取代的烷基，可选取代的环烷基，可选取代的芳基烷基，可选取代的芳基或可选取代的杂芳基； 每个R7独立地表示可选取代的氨基，可选取代的氨基羰基，羟基，可选取代的酰基，可选取代的烷氧基，可选取代的芳氧基，可选取代的烷基，可选取代的环烷基，可选取代的芳基烷基，可选取代的芳基或可选取代的杂芳基； R8为可选取代的酰基，可选取代的烷基，可选取代的环烷基，可选取代的芳基烷基，可选取代的芳基或可选取代的杂芳基； R24和R25相同或不同，每个表示氢，可选取代的烷基，可选取代的环烷基，可选取代的芳基烷基，可选取代的芳基或可选取代的杂芳基， n为1或2， m为1，2或3， 但是当X1为C═O且R5为H时，则R4不为： 或 其中，R4a，R5a和R6a各自独立地为H，C1-6烷基，芳基，杂芳基，环烷基或芳基-C1-6烷基； R10a为H或C1-6烷基； R11a为C1-6烷基或芳基-C1-6烷基， 当X1为C═O或 且R5为H时，则R4不为： 其中，q为0至5， R3b为H，OH或烷氧基， R4b为NH2，苯基或C3-10杂环。这些化合物可用作钾离子通道抑制剂。
• Potassium Channel Blockers
  申请人：Xention Limited

  公开号：US20140221337A1

  公开（公告）日：2014-08-07

  The present invention provides a compound of formula (I) or its salts or pharmaceutically acceptable derivatives thereof wherein X 1 , R 1 , R 2 , R 3 , R 4 , and R 5 are defined as set forth in the specification. The compounds are useful as potassium ion channel inhibitors.

  本发明提供了一种公式(I)化合物或其盐或药学上可接受的衍生物，其中X1，R1，R2，R3，R4和R5如规范中所述。这些化合物可用作钾离子通道抑制剂。
• NOVEL POTASSIUM CHANNEL BLOCKERS
  申请人：Japan Tobacco Inc.

  公开号：EP2342177B1

  公开（公告）日：2017-02-15
• JP2012500836A
  申请人：——

  公开号：JP2012500836A

  公开（公告）日：2012-01-12