2'-chloro-5-(4-methyl-piperazin-1-yl)-biphenyl-2-carboxylic acid-(3,5-bis-trifluoromethylbenzyl)-methyl-amide

• 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: 2'-chloro-5-(4-methyl-piperazin-1-yl)-biphenyl-2-carboxylic acid-(3,5-bis-trifluoromethylbenzyl)-methyl-amide
• 英文别名: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-chlorophenyl)-N-methyl-4-(4-methylpiperazin-1-yl)benzamide
• 化学式: C₂₈H₂₆ClF₆N₃O
• 分子量: 569.977
• InChiKey: XBAGKJHXEXUVRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  39
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  26.8
• 氢给体数：
  0
• 氢受体数：
  9

文献信息

• Biphenyl derivatives
  申请人：——

  公开号：US20020040060A1

  公开（公告）日：2002-04-04

  The invention relates to compounds of the formula 1 wherein R is hydrogen, lower alkyl, lower alkoxy, halogen, amino, —N(R 6 ) 2 or trifluoromethyl; R 1 is hydrogen, lower alkoxy or halogen; R and R 1 may be together —CH═CH—CH═CH—; R 2 is halogen, lower alkyl or trifluoromethyl; R 3 is hydrogen or lower alkyl; R 4 is hydrogen or a cyclic tertiary amine, optionally substituted by lower alkyl; R 5 is hydrogen, nitro, amino or —N(R 6 ) 2 ; R 6 is hydrogen or lower alkyl; X is —C(O)N(R 6 )—, —(CH 2 ) n O—, —(CH 2 )—,—N(R 6 )—, —N(R 6 )C(O)— or —N(R 6 )(CH 2 ) n —; and n is I or 2; and pharmaceutically acceptable acid addition salts thereof. The compounds of formula I may be used for the treatment of diseases related to the NK-l receptor.

  本发明涉及化合物公式1，其中R为氢、低级烷基、低级烷氧基、卤素、氨基、-N(R6)2或三氟甲基；R1为氢、低级烷氧基或卤素；R和R1可以结合成-CH═CH-CH═CH-；R2为卤素、低级烷基或三氟甲基；R3为氢或低级烷基；R4为氢或环状三级胺，可选择地被低级烷基取代；R5为氢、硝基、氨基或-N(R6)2；R6为氢或低级烷基；X为-C(O)N(R6)-、-(CH2)nO-、-( )-、-N(R6)-、-N(R6)C(O)-或-N(R6)( )n-；n为1或2；以及其药学上可接受的酸加盐。公式I的化合物可用于治疗与NK-l受体相关的疾病。
• Brain, spinal, and nerve injury treatment
  申请人：EUSTRALIS PHARMACEUTICALS LIMITED

  公开号：US10201568B2

  公开（公告）日：2019-02-12

  A treatment for brain, spinal and nerve injury comprising use of a substance P receptor antagonist optionally in combination with a magnesium compound. There is also provided a formulation for use in this treatment comprising a substance P receptor antagonist and a magnesium compound.

  一种治疗脑、脊柱和神经损伤的方法，包括使用一种 P 物质受体拮抗剂（可选择与一种镁化合物结合使用）。还提供了一种用于这种治疗的制剂，包括一种 P 物质受体拮抗剂和一种镁化合物。
• Brain, spinal and nerve injury treatment
  申请人：Nimmo John Alan

  公开号：US20050107380A1

  公开（公告）日：2005-05-19

  A treatment for brain, spinal and nerve injury comprising use of a substance P receptor antagonist optionally in combination with a magnesium compound. There is also provided a formulation for use in this treatment comprising a substance P receptor antagonist and a magnesium compound.

  一种治疗脑、脊柱和神经损伤的方法，包括使用一种 P 物质受体拮抗剂（可选择与一种镁化合物结合使用）。还提供了一种用于这种治疗的制剂，包括一种 P 物质受体拮抗剂和一种镁化合物。
• BIPHENYL DERIVATIVES AS ANTAGONISTS OF THE NEUROKININE-1 RECEPTOR
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1171419A1

  公开（公告）日：2002-01-16
• Brain, Spinal and Nerve Injury Treatment
  申请人：Nimmo Alan John

  公开号：US20090253698A1

  公开（公告）日：2009-10-08

  A treatment for brain, spinal and nerve injury comprising use of a substance P receptor antagonist optionally in combination with a magnesium compound. There is also provided a formulation for use in this treatment comprising a substance P receptor antagonist and a magnesium compound.