(3a,4-dihydro-3H-2,5-dioxa-1,6-diaza-cyclopenta[a]naphthalen-3-yl)-methanol | 666234-24-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃吡啶类
• 英文名称: (3a,4-dihydro-3H-2,5-dioxa-1,6-diaza-cyclopenta[a]naphthalen-3-yl)-methanol
• 英文别名: 4,8-Dioxa-3,10-diazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-5-ylmethanol
• CAS: 666234-24-8
• 化学式: C₁₀H₁₀N₂O₃
• 分子量: 206.201
• InChiKey: QARMJNCYTFBXRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  63.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  [3-(2-bromo-pyridin-3-yl)-5-hydroxymethyl-4,5-dihydroisoxazol-4-yl]-methanol 在 18-冠醚-6 potassium carbonate 作用下， 以 (methyl)isobutyl ketone 为溶剂， 反应 8.0h， 以10%的产率得到(3a,4-dihydro-3H-2,5-dioxa-1,6-diaza-cyclopenta[a]naphthalen-3-yl)-methanol
  参考文献：
  名称：

  [EN] FUSED HETEROCYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS
  [FR] DERIVES D'ISOXAZOLINE HETEROCYCLIQUES FUSIONNES ET LEUR UTILISATION EN TANT QU'ANTIDEPRESSEURS

  摘要：

  该发明涉及Formula (I)的融合杂环异氧化烷衍生物，其药学上可接受的酸或碱盐，其立体化异构体以及其N-氧化物形式，更具体地说，通过双环部分的6元环连接到杂环环系统的四氢吡喃异氧化烷，六氢异氧化烷吡啶，四氢硫代吡喃异氧化烷和六氢苯并异氧化烷衍生物，以及它们的制备方法，包含它们的制药组合物以及它们作为药物的用途，特别是用于治疗抑郁症、焦虑症、运动障碍、精神病、帕金森病和体重紊乱，包括厌食症和暴食症，其中变量的定义如权利要求书第1项所述。这些化合物被惊人地证明具有选择性的5-羟色胺（5-HT）再摄取抑制剂活性以及α2-肾上腺素受体拮抗剂活性，根据本发明的化合物也适用于治疗和/或预防在该活性之一或该活性的组合可能具有治疗用途的疾病。

  公开号：

  WO2004018483A1

文献信息

• Fused heterocyclic isoxazoline derivatives and their use as anti-derpressants
  申请人：Andres-Gil Ignacio Jose

  公开号：US20060116378A1

  公开（公告）日：2006-06-01

  The invention concerns fused heterocyclic isoxazoline derivatives of Formula (I), the pharmaceutically acceptable acid or base addition salts thereof, the stereochemically isomeric forms thereof and the N-oxide form thereof, more in particular, tetrahydropyranoisoxazole, hexahydroisoxazolopyridine, tetrahydrothiopyrano isoxazole and hexahydrobenzoisoxazole derivatives fused to a heterocyclic ring system via the 6-membered ring of the bicyclic moiety as well as processes for their preparation, pharmaceutical compositions comprising them and their use as a medicine, in particular for treating depression, anxiety, movement disorders, psychosis, Parkinson's disease and body weight disorders including anorexia nervosa and bulimia, wherein the variables are defined as in Claim 1. The compounds have surprisingly been shown to have selective serotonine (5-HT) reuptake inhibitor activity as well as α 2 -adrenoceptor antagonist activity, compounds according to the invention are also suitable for treatment and/or prophylaxis in diseases where either one of the activities alone or the combination of said activities may be of therapeutic use.

  本发明涉及公式（I）的融合杂环异噁唑衍生物，其药学上可接受的酸或碱盐，其立体化异构体形式和N-氧化物形式，更具体地，通过双环基团的6元环与杂环环系统融合的四氢吡喃异噁唑，六氢异噁唑吡啶，四氢硫代吡喃异噁唑和六氢苯并异噁唑衍生物，以及其制备方法，包括它们的制药组合物和作为药物的用途，特别是用于治疗抑郁症，焦虑症，运动障碍，精神病，帕金森病和体重障碍，包括厌食症和贪食症，其中变量的定义如权利要求1所述。这些化合物已被证明具有选择性的5-羟色胺（5-HT）再摄取抑制剂活性以及α2-肾上腺素受体拮抗剂活性，根据本发明的化合物也适用于治疗和/或预防单独或联合使用这些活性可能具有治疗用途的疾病。
• FUSED HETEROCYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP1554286A1

  公开（公告）日：2005-07-20
• US7501418B2
  申请人：——

  公开号：US7501418B2

  公开（公告）日：2009-03-10
• [EN] FUSED HETEROCYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS<br/>[FR] DERIVES D'ISOXAZOLINE HETEROCYCLIQUES FUSIONNES ET LEUR UTILISATION EN TANT QU'ANTIDEPRESSEURS
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2004018483A1

  公开（公告）日：2004-03-04

  The invention concerns fused heterocyclic isoxazoline derivatives of Formula (I), the pharmaceutically acceptable acid or base addition salts thereof, the stereochemically isomeric forms thereof and the N-oxide form thereof, more in particular, tetrahydropyranoisoxazole, hexahydroisoxazolopyridine, tetrahydrothiopyrano isoxazole and hexahydrobenzoisoxazole derivatives fused to a heterocyclic ring system via the 6-membered ring of the bicyclic moiety as well as processes for their preparation, pharmaceutical compositions comprising them and their use as a medicine, in particular for treating depression, anxiety, movement disorders, psychosis, Parkinson's disease and body weight disorders including anorexia nervosa and bulimia, wherein the variables are defined as in Claim 1. The compounds have surprisingly been shown to have selective serotonine (5-HT) reuptake inhibitor activity as well as α2-adrenoceptor antagonist activity, compounds according to the invention are also suitable for treatment and/or prophylaxis in diseases where either one of the activities alone or the combination of said activities may be of therapeutic use.

  该发明涉及Formula (I)的融合杂环异氧化烷衍生物，其药学上可接受的酸或碱盐，其立体化异构体以及其N-氧化物形式，更具体地说，通过双环部分的6元环连接到杂环环系统的四氢吡喃异氧化烷，六氢异氧化烷吡啶，四氢硫代吡喃异氧化烷和六氢苯并异氧化烷衍生物，以及它们的制备方法，包含它们的制药组合物以及它们作为药物的用途，特别是用于治疗抑郁症、焦虑症、运动障碍、精神病、帕金森病和体重紊乱，包括厌食症和暴食症，其中变量的定义如权利要求书第1项所述。这些化合物被惊人地证明具有选择性的5-羟色胺（5-HT）再摄取抑制剂活性以及α2-肾上腺素受体拮抗剂活性，根据本发明的化合物也适用于治疗和/或预防在该活性之一或该活性的组合可能具有治疗用途的疾病。