(RS)-N-(3,5-Bis-trifluoromethyl-benzyl)-N-methyl-6-(1-methyl-1H-imidazole-2-sulfinylmethyl)-4-o-tolyl-nicotinamide | 401892-13-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (RS)-N-(3,5-Bis-trifluoromethyl-benzyl)-N-methyl-6-(1-methyl-1H-imidazole-2-sulfinylmethyl)-4-o-tolyl-nicotinamide
• 英文别名: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-6-[(1-methylimidazol-2-yl)sulfinylmethyl]-4-(2-methylphenyl)pyridine-3-carboxamide
• CAS: 401892-13-5
• 化学式: C₂₈H₂₄F₆N₄O₂S
• 分子量: 594.581
• InChiKey: YTOWVYUKMKGZPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  41
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  87.3
• 氢给体数：
  0
• 氢受体数：
  11

文献信息

• Substituted 4-phenyl-pyridine compounds with activity as antagonists of neurokinin 1 receptors
  申请人：——

  公开号：US20020040040A1

  公开（公告）日：2002-04-04

  Substituted 4-phenyl-pyridine compounds with activity as antagonists of Neurokinin 1 receptors, methods of making these compounds and preparing.

  用作神经激肽1受体拮抗剂的4-苯基吡啶化合物，制备这些化合物的方法和制备。
• 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1309559B1

  公开（公告）日：2006-06-07
• US6770637B2
  申请人：——

  公开号：US6770637B2

  公开（公告）日：2004-08-03
• [EN] 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS<br/>[FR] DERIVES DE 4-PHENYL-PYRIDINE UTILISES COMME ANTAGONISTES DU RECEPTEUR DE NEUROKININE 1
  申请人：HOFFMANN LA ROCHE

  公开号：WO2002016324A1

  公开（公告）日：2002-02-28

  The present invention relates to compounds of the general formula (I) wherein a.o. 5 R is hydrogen or halogen; R and R?2 or R4 and R4'¿ may be together -CH=CH-CH=CH-, optionally substituted by one or two substituents selected from lower alkyl, halogen or lower alkoxy; X is -C(O)N(R8)-, (CH¿2?)pO-, -(CH2)pN(R?8¿)-, -N(R8)C(O)- or -N(R8)-(CH2)p-; wherein R8 is hydrogen or lower alkyl; n is 1 or 2; m is 0, 1, 2, 3, or 4; O is 1 or 2; and p is 1 or 2; and to pharmaceutically acceptable acid addition salts thereof. It has been found that the compounds of the present invention are antagonists of the Neurokinin 1 (NK-1, substance P) receptor, and they are therefore useful in the treatment of diseases, related to this receptor.