4-((1S,2R)-3-(4-苄基哌啶-1-基)-1-羟基-2-甲基丙基)苯酚 | 169274-81-1

• 物质功能分类: 有机原料 - 醇、酚、酚醇类化合物及衍生物 - 酚及其卤化、磺化、硝化或亚硝化衍生物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 4-((1S,2R)-3-(4-苄基哌啶-1-基)-1-羟基-2-甲基丙基)苯酚
• 英文名称: Ro25-6891
• 英文别名: [S-(R*,S*)]-α-(4-hydroxyphenyl)-β-methyl-4-(phenylmethyl)-1-piperidinepropanol；4-((1S,2R)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl)phenol；4-[(1S,2R)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
• CAS: 169274-81-1
• 化学式: C₂₂H₂₉NO₂
• 分子量: 339.478
• InChiKey: WVZSEUPGUDIELE-VGSWGCGISA-N

物化性质

• 沸点：
  512.4±45.0 °C(Predicted)
• 密度：
  1.116±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  43.7
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Phenylalkanolamine derivatives as antagonists of the NMDA receptor
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP0648744B1

  公开（公告）日：1998-01-21
• COMPOUNDS FOR TREATMENT OF INFLAMMATORY BOWEL DISEASE AND METHODS THEREOF
  申请人：ALGERNON PHARMACEUTICALS INC.

  公开号：US20210290604A1

  公开（公告）日：2021-09-23

  The current application relates to the use of emoxypine or a glutamate 2b receptor (Glut2B) antagonist for the treatment or prophylaxis of colitis or inflammatory bowel disease (IBD) in a subject. The glut2B antagonist or emoxypine can also be combined with other drugs such as anti-inflammatory drugs, immune system suppressors, antibiotics, anti-diarrheas, pain relievers, iron supplements, vitamin B12, or calcium/vitamin D supplements.
• [EN] COMPOUNDS FOR TREATMENT OF INFLAMMATORY BOWEL DISEASE AND METHODS THEREOF<br/>[FR] COMPOSÉS POUR LE TRAITEMENT DE LA MALADIE INTESTINALE INFLAMMATOIRE ET PROCÉDÉS ASSOCIÉS
  申请人：ALGERNON PHARMACEUTICALS INC

  公开号：WO2020006629A1

  公开（公告）日：2020-01-09

  The current application relates to the use of emoxypine or a glutamate 2b receptor (Glut2B) antagonist for the treatment or prophylaxis of colitis or inflammatory bowel disease (IBD) in a subject. The glut2B antagonist or emoxypine can also be combined with other drugs such as anti-inflammatory drugs, immune system suppressors, antibiotics, anti-diarrheas, pain relievers, iron supplements, vitamin B12, or calcium/vitamin D supplements.
• [EN] COMPOUNDS FOR TREATMENT OF DIARRHEA, INFLAMMATORY BOWEL DISEASE AND METHODS THEREOF<br/>[FR] COMPOSÉS DE TRAITEMENT DE LA DIARRHÉE, DE LA MALADIE INFLAMMATOIRE DE L'INTESTIN ET LEURS PROCÉDÉS
  申请人：ALGERNON PHARMACEUTICALS INC

  公开号：WO2021003553A1

  公开（公告）日：2021-01-14

  Glutamate 2b receptor antagonists, and/or emoxypine and/or selective serotonin reuptake inhibitors, are used for treating inflammatory bowel disease, ulcerative colitis (UC), Crohn's disease, and/or diarrhea. In particular, Emoxypine is used for the treatment or prophylaxis of diarrhea, colitis or inflammatory bowel disease such as ulcerative colitis (UC) and Crohn's disease in a subject; including combinations of Emoxypine with one or more of anti-inflammatory drugs, immune system suppressors, antibiotics, anti-diarrheals, pain relievers, iron supplements, vitamin B 12 shots and calcium and vitamin D supplements.