1-[3-(4-chloro-2,3-dimethylphenoxy)-4-methylaminomethylphenyl]-3-phenyl-prop-2-yn-1-ol | 879091-47-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 1-[3-(4-chloro-2,3-dimethylphenoxy)-4-methylaminomethylphenyl]-3-phenyl-prop-2-yn-1-ol
• 英文别名: 1-[3-(4-Chloro-2,3-dimethylphenoxy)-4-(methylaminomethyl)phenyl]-3-phenylprop-2-yn-1-ol
• CAS: 879091-47-1
• 化学式: C₂₅H₂₄ClNO₂
• 分子量: 405.924
• InChiKey: QYZBAYKTDDTJMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  41.5
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Therapeutic diphenyl ether ligands
  申请人：Fliri J. Anton

  公开号：US20060058361A1

  公开（公告）日：2006-03-16

  This invention is directed to compounds of formula Ia, Ib or Ic and to pharmaceutical compositions thereof: or a prodrug thereof and a pharmaceutically acceptable carrier, wherein the R groups are defined in the specification; and, in which the dashed line represents an optional double bond. The invention is also directed to methods of treating, diagnosing, and preventing disorders of the central nervous system that are associated with 5HT receptors, including obesity, attention deficit disorder, migraine, depression, epilepsy, anxiety, Alzheimer's disease, withdrawal from drug abuse, pain, schizophrenia, stress-related disorders, panic disorder, sleep disorders, phobias, obsessive compulsive disorder, post-traumatic-stress syndrome, immune system depression, stress-induced gastrointestinal dysfunction, stress-induced cardiovascular dysfunction, and sexual dysfunction.

  该发明涉及式Ia、Ib或Ic的化合物，以及其药物组成物：或其前药和药用可接受载体，其中R基在规范中定义；以及虚线代表可选的双键。该发明还涉及治疗、诊断和预防与5HT受体相关的中枢神经系统疾病的方法，包括肥胖、注意缺陷障碍、偏头痛、抑郁症、癫痫、焦虑、阿尔茨海默病、戒毒、疼痛、精神分裂症、应激相关疾病、恐慌症、睡眠障碍、恐惧症、强迫症、创伤后应激综合征、免疫系统抑郁、应激引起的胃肠功能障碍、应激引起的心血管功能障碍和性功能障碍。
• THERAPEUTIC DIPHENYL ETHER LIGANDS
  申请人：Pfizer Products Incorporated

  公开号：EP1791807A1

  公开（公告）日：2007-06-06
• [EN] THERAPEUTIC DIPHENYL ETHER LIGANDS<br/>[FR] LIGANDS DE DIPHENYL ETHER THERAPEUTIQUES
  申请人：PFIZER PROD INC

  公开号：WO2006027684A1

  公开（公告）日：2006-03-16

  This invention is directed to compounds of formula la, lb or Ic and to pharmaceutical compositions thereof: formula (Ia), formula (Ib), formula (Ic) or a prodrug thereof and a pharmaceutically acceptable carrier, wherein the R groups are defined in the specification; and, in which the dashed line represents an optional double bond. The invention is also directed to methods of treating, diagnosing, and preventing disorders of the central nervous system that are associated with 5HT receptors, including obesity, attention deficit disorder, migraine, depression, epilepsy, anxiety, Alzheimer's disease, withdrawal from drug abuse, pain, schizophrenia, stress-related disorders, panic disorder, sleep disorders, phobias, obsessive compulsive disorder, post-traumatic-stress syndrome, immune system depression, stress-induced gastrointestinal dysfunction, stress-induced cardiovascular dysfunction, and sexual dysfunction.