(+)-(1S,5R,6S)-外-3-[2-(6-(4-氟苯基)-3-氮杂双环[3.2.0]庚烷-3-基)-乙基]-1H,3H-喹唑啉-2,4-二酮 | 208661-17-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: (+)-(1S,5R,6S)-外-3-[2-(6-(4-氟苯基)-3-氮杂双环[3.2.0]庚烷-3-基)-乙基]-1H,3H-喹唑啉-2,4-二酮
• 英文名称: LU111995
• 英文别名: Belaperidone；3-[2-[(1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-1H-quinazoline-2,4-dione
• CAS: 208661-17-0
• 化学式: C₂₂H₂₂FN₃O₂
• 分子量: 379.434
• InChiKey: XLJWJFKYRFPJSD-LZQZEXGQSA-N

物化性质

• 密度：
  1.287±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  52.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (1S,5R,6S)-6-(4-fluorophenyl)-3-azoniabicyclo[3.2.0]-heptane chloride 、 3-(2-氯乙基)-2,4(1H,3H)-喹唑啉二酮 在 3-(2-氯乙基)-2,4(1H,3H)-喹唑啉二酮 作用下， 以52的产率得到(+)-(1S,5R,6S)-外-3-[2-(6-(4-氟苯基)-3-氮杂双环[3.2.0]庚烷-3-基)-乙基]-1H,3H-喹唑啉-2,4-二酮
  参考文献：
  名称：

  N-substituted azabicycloheptane derivatives

  摘要：

  本发明涉及一种式子为I的化合物：##STR1## 其中R.sup.1，R.sup.2，n，R.sup.3，A，X，Y和Z的含义如描述中所述，并描述了其制备方法。这些新型化合物适用于控制疾病，即作为神经类药物、抗抑郁药、镇静剂、催眠剂、中枢神经系统保护剂或肌肉松弛剂。

  公开号：

  US05475105A1

文献信息

• Combination treatment for anxiety, depression, obsessive compulsive disorder and psychosis
  申请人：Pfizer Inc.

  公开号：US20020123490A1

  公开（公告）日：2002-09-05

  The present invention relates to a method of treating depression, obsessive compulsive disorder and psychosis in a mammal, including a human, by administering to the mammal an atypical antipsychotic in combination with an antidepressant agent with improvement in efficiency. It also relates to pharmaceutical compositions containing a pharmaceutically acceptable carrier, an atypical antipsychotic, and an SRI.

  本发明涉及一种治疗哺乳动物，包括人类，的抑郁症、强迫症和精神病的方法，通过向哺乳动物投予一种非典型抗精神病药物与抗抑郁药物的组合，以提高效率。它还涉及含有一种药学上可接受的载体、一种非典型抗精神病药物和一种SRI的药物组合。
• N-substituted azabicycloheptane derivatives
  申请人：BASF Aktiengesellschaft

  公开号：US05475105A1

  公开（公告）日：1995-12-12

  Abstract of the Disclosure: Compounds of the formula I ##STR1## where R.sup.1, R.sup.2, n , R.sup.3, A, X, Y and Z have the meanings stated in the description, and the preparation thereof are described. The novel compounds are suitable for controlling diseases , i.e., as neuroleptics, antidepressants, sedatives, hypnotics, CNS protectives or muscle relaxants.

  本发明涉及一种式子为I的化合物：##STR1## 其中R.sup.1，R.sup.2，n，R.sup.3，A，X，Y和Z的含义如描述中所述，并描述了其制备方法。这些新型化合物适用于控制疾病，即作为神经类药物、抗抑郁药、镇静剂、催眠剂、中枢神经系统保护剂或肌肉松弛剂。
• 3-Substituted 3,4-dihydro-thieno[2,3-d]pyrimidin-4-one derivatives, production and use thereof
  申请人：Bakker Margaretha

  公开号：US20060142317A1

  公开（公告）日：2006-06-29

  The invention relates to 3,4-dihydro-thieno[2,3-d]pyrimidin-4-one derivatives which are substituted in position 3 by 5-membered heteroaryl which may be fused to an aryl or heteroaryl radical, where the heteroaryl and, if appropriate, the fused aryl or heteroaryl radical may have 1, 2 or 3 substituents selected independently of one another from C 1-5 -alkyl, C 1-5 -alkoxy, C 1-5 -alkylthio, halogen, CN, halo-C 1-5 -alkyl, halo-C 1-5 -alkoxy, hydroxy, —NH 2 , —N(R6) 2 , —NH(R6), aryl, aryloxy, aralkyl, aralkyloxy and heteroaryl, where the substituents aryl, aryloxy, aralkyl, aralkyloxy and heteroaryl may have 1, 2 or 3 substituents selected independently of one another from C 1-5 -alkyl, C 1-5 -alkoxy, C 1-5 -alkylthio, halogen, CN, halo-C 1-5 -alkyl, halo-C 1-5 -alkoxy, hydroxy, —NH 2 , —N(R6) 2 and —NH(R6). The preparation and use of these derivatives, especially for therapeutic purposes, e.g. for the treatment of depressions, are likewise described.

  本发明涉及3,4-二氢噻吩[2,3-d]嘧啶-4-酮衍生物，其在3位被5-成员杂环芳基取代，该杂环芳基可以与芳基或杂环芳基基团融合，其中该杂环芳基和（如适用）融合的芳基或杂环芳基基团可以具有1、2或3个取代基，这些取代基可独立地从C1-5-烷基、C1-5-烷氧基、C1-5-烷基硫基、卤素、CN、卤代C1-5-烷基、卤代C1-5-烷氧基、羟基、—NH2、—N(R6)2、—NH(R6)、芳基、芳氧基、芳基烷基、芳基烷氧基和杂环芳基中选择，其中芳基、芳氧基、芳基烷基、芳基烷氧基和杂环芳基的取代基可独立地从C1-5-烷基、C1-5-烷氧基、C1-5-烷基硫基、卤素、CN、卤代C1-5-烷基、卤代C1-5-烷氧基、羟基、—NH2、—N(R6)2和—NH(R6)中选择。同时还描述了这些衍生物的制备和使用，特别是用于治疗目的，例如用于治疗抑郁症。
• Combination of a serotonin reuptake inhibitor and an atypical antipsychotic for use in depression, obsessive compulsive disorder and psychosis
  申请人：Pfizer Products Inc.

  公开号：EP1238676A1

  公开（公告）日：2002-09-11

  The present invention relates to a method of treating depression, obsessive compulsive disorder and psychosis in a mammal, including a human, by administering to the mammal an atypical antipsychotic in combination with an antidepressant agent with improvement in efficiency. It also relates to pharmaceutical compositions containing a pharmaceutically acceptable carrier, an atypical antipsychotic, and an SRI.

  本发明涉及一种治疗哺乳动物（包括人类）抑郁症、强迫症和精神病的方法，其方法是向哺乳动物施用一种非典型抗精神病药与一种抗抑郁药联用，以提高疗效。它还涉及含有药学上可接受的载体、非典型抗精神病药和 SRI 的药物组合物。
• Compositions for treating autism spectrum disorder
  申请人：Seaside Therapeutics, Inc.

  公开号：EP2567696A1

  公开（公告）日：2013-03-13

  Subjects having at least one condition selected from the group consisting of mental retardation, Down's syndrome, fragile X syndrome and autism are treated with a composition that includes gamma-am inobutyric acid agonists and/or MI muscarinic receptor antagonists. The gamma-am inobutyric acid agonist (GABA) can be a GABA(B) agonist, such as baclofen. GABA(B) agonists can be used in combination with Group I mGluR antagonists and MI muscarinic receptor antagonists in methods of treating humans.

  患有至少一种选自精神发育迟滞、唐氏综合症、脆性 X 综合症和自闭症的受试者，可使用一种包括γ-氨基丁酸激动剂和/或 MI 肌肽受体拮抗剂的组合物进行治疗。γ-氨基丁酸激动剂（GABA）可以是 GABA（B）激动剂，如巴氯芬。GABA(B) 激动剂可与 I 组 mGluR 拮抗剂和 MI 类毒蕈碱受体拮抗剂联合用于治疗人类的方法中。