1-[1-(1-Phenylcyclooctyl)-4-piperidinyl]-1,3-dihydro-2H-1,3-benzimidazol-2-one | 231960-87-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 1-[1-(1-Phenylcyclooctyl)-4-piperidinyl]-1,3-dihydro-2H-1,3-benzimidazol-2-one
• 英文别名: 3-[1-(1-phenylcyclooctyl)piperidin-4-yl]-1H-benzimidazol-2-one
• CAS: 231960-87-5
• 化学式: C₂₆H₃₃N₃O
• 分子量: 403.568
• InChiKey: NLXONHJAFMYJRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  35.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-(2-Nitrophenyl)-N-[1-(1-phenylcyclooctyl)-4-piperidinyl]amine 生成 1-[1-(1-Phenylcyclooctyl)-4-piperidinyl]-1,3-dihydro-2H-1,3-benzimidazol-2-one
  参考文献：
  名称：

  4-(2-keto-1-benzimidazolinyl)piperidine compounds as ORL1-receptor agonists

  摘要：

  公式化合物：或其药用盐，其中上述定义的R1、R2、R3、R4和R5对哺乳动物主体作为ORL1受体激动剂是有用的，并且作为镇痛剂或类似物也是有用的。

  公开号：

  US06423725B1

文献信息

• 2-Substituted-1-piperidyl benzimidazole compounds as ORL1-receptor agonists
  申请人：——

  公开号：US20030109549A1

  公开（公告）日：2003-06-12

  A compound of the formula: 1 or a pharmaceutically acceptable salt thereof, wherein R is unsubstituted, mono-, di- or tri-substituted (C 3 -C 11 )cycloalkyl or (C 3 -C 11 )cycloalkenyl or the like, A is unsubstituted (C 1 -C 7 )alkyl or (C 2 -C 5 )alkenyl, or unsubstituted, mono-, di- or tri-substituted aryl, or aromatic-heterocyclic or the like, Y is hydrogen, halo, amino or mercapto, or unsubstituted, mono-, di- or tri-substituted (C 1 -C 10 )alkyl-M—, (C 3 -C 7 )cycloalkyl-M—, (C 2 -C 6 )alkenyl-M—, (C 1 -C 4 )alkyl-NH—((C 1 -C 4 )alkyl)-M—, di(C 1 -C 4 )alkyl-N—((C 1 -C 4 )alkyl)-M—, aryl-M—, aromatic or non-aromatic heterocyclic-M—, aryl-(C 1 -C 5 )alkyl-M— or aromatic non-aromatic heterocyclic-(C 1 -C 5 )alkyl-M—, wherein M is a covalent bond O, S, NH or the like, or the like; Z 1 , Z 2 , Z 3 and Z 4 are hydrogen or the like, has ORL1-receptor agonist activity, and are useful as analgesics or the like in mammalian subjects.

  公式为1的化合物或其药学上可接受的盐，其中R为未取代，单取代，双取代或三取代（C3-C11）环烷基或（C3-C11）环烯基或类似物，A为未取代的（C1-C7）烷基或（C2-C5）烯基，或未取代，单取代，双取代或三取代的芳基，或芳香杂环或类似物，Y为氢，卤素，氨基或巯基，或未取代，单取代，双取代或三取代的（C1-C10）烷基-M-，（C3-C7）环烷基-M-，（C2-C6）烯基-M-，（C1-C4）烷基-NH-（（C1-C4）烷基）-M-，双（C1-C4）烷基-N-（（C1-C4）烷基）-M-，芳基-M-，芳香或非芳香杂环-M-，芳基-(C1-C5)烷基-M-或芳香非芳香杂环-(C1-C5)烷基-M-，其中M是共价键O，S，NH或类似物，或类似物；Z1，Z2，Z3和Z4为氢或类似物，具有ORL1受体激动剂活性，并且在哺乳动物主体中用作镇痛剂或类似物。
• 4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE COMPOUNDS AS ORL1-RECEPTOR AGONISTS
  申请人：PFIZER INC.

  公开号：EP1049689A1

  公开（公告）日：2000-11-08
• 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS
  申请人：PFIZER INC.

  公开号：EP1102762A2

  公开（公告）日：2001-05-30
• High affinity ligands for nociceptin receptor ORL-1
  申请人：Schering-Plough Corporation

  公开号：US20040067950A1

  公开（公告）日：2004-04-08

  The present invention relates to the method of treating cough with ORL-1 agonists, alone or in combination with additional agents for treating symptoms of cough, allergy or asthma, pharmaceutical compositions comprising the combinations, and to compounds of the formula 1 or a pharmaceutically acceptable salt or solvate thereof, wherein: the dotted line represents an optional double bond; X 1 is optionally substituted alkyl, cycloalkyl, aryl, heteroaryl or heterocycloalkyl; X 2 is —CHO, —CN, optionally substituted amino, alkyl, or aryl; or X 1 is optionally substituted benzofused heterocyclyl and X 2 is hydrogen; or X 1 and X 2 together form an optionally benzofused spiro heterocyclyl group R 1 , R 2 , R 3 and R 4 are independently H and alkyl, or (R 1 and R 4 ) or (R 2 and R 3 ) or (R 1 and R 3 ) or (R 2 and R 4 ) together can form an alkylene bridge of 1 to 3 carbon atoms; Z 1 is optionally substituted alkyl, aryl, heteroaryl, cycloalkyl or heterocycloalkyl, or —CO 2 (alkyl or substituted amino) or CN ; Z 2 is H or Z 1 ; Z 3 is H or alkyl; or Z 1 , Z 2 and Z 3 , together with the carbon to which they are attached, form bicyclic saturated or unsaturated rings; pharmaceutical compositions therefore, and the use of said compounds as nociceptin receptor inhibitors useful in the treatment of pain, anxiety, cough, asthma, depression and alcohol abuse.
• US6172067B1
  申请人：——

  公开号：US6172067B1

  公开（公告）日：2001-01-09