2-methyl-8-{[4-(3-trifluoromethyl)phenyl-3,6-dihydro-1(2H)-pyridinyl]methyl}-7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene | 474937-02-5

• 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-methyl-8-{[4-(3-trifluoromethyl)phenyl-3,6-dihydro-1(2H)-pyridinyl]methyl}-7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene
• 英文别名: 2-methyl-8-[[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazole
• CAS: 474937-02-5
• 化学式: C₂₃H₂₁F₃N₂O₃
• 分子量: 430.427
• InChiKey: XCBSPOGRGMTLQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  47.7
• 氢给体数：
  0
• 氢受体数：
  8

文献信息

• Azaheterocyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene as 5-HT1A antagonists
  申请人：Wyeth

  公开号：US20020193365A1

  公开（公告）日：2002-12-19

  Compounds of the formula 1 are useful for treating the cognitive deficits due to aging, stroke, head trauma, Alzheimer's disease or other neurodegenerative diseases, or schizophrenia. The compounds of the invention are also useful for the treatment of disorders such as anxiety, aggression and stress, and for the control of various physiological phenomena, such as appetite, thermoregulation, sleep and sexual behavior.

  公式1的化合物可用于治疗因衰老、中风、头部创伤、阿尔茨海默病或其他神经退行性疾病或精神分裂症引起的认知缺陷。本发明的化合物还可用于治疗焦虑、攻击性和压力等疾病，并用于控制各种生理现象，例如食欲、体温调节、睡眠和性行为。
• US6815448B2
  申请人：——

  公开号：US6815448B2

  公开（公告）日：2004-11-09
• [EN] AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZA-CYCLOPENTA[A]NAPHTHALENE AS 5-HT1A ANTAGONISTS<br/>[FR] DERIVES AZAHETEROCYCLYLMETHYLIQUES DE 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZA-CYCLOPENTA[A]NAPHTALENE EN TANT QU'ANTAGONISTES DE 5-HT1A
  申请人：WYETH CORP

  公开号：WO2002090362A1

  公开（公告）日：2002-11-14

  Compounds of the formula (I): are useful for treating the cognitive deficits due to aging, stroke, head trauma, Alzheimer's disease or other neurodegenerative diseases, or schizophrenia. The compounds of the invention are also useful for the treatment of disorders such as anxiety, aggression and stress, and for the control of various physiological phenomena, such as appetite, thermoregulation, sleep and sexual behavior.