(2S)-8-methyl-2-{[(2S)-2-methyl-4-quinolin-2-ylpiperazin-1-yl]methyl}-2,3-dihydro[1,4]dioxino-[2,3-f]quinoline | 676130-99-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (2S)-8-methyl-2-{[(2S)-2-methyl-4-quinolin-2-ylpiperazin-1-yl]methyl}-2,3-dihydro[1,4]dioxino-[2,3-f]quinoline
• 英文别名: (2S)-8-methyl-2-{[(2S)-2-methyl-4-quinolin-2-ylpiperazin-1-yl]methyl}-2,3-dihydro[1,4]dioxino[2,3-f]quinoline；(2S)-8-methyl-2-[[(2S)-2-methyl-4-quinolin-2-ylpiperazin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline
• CAS: 676130-99-7
• 化学式: C₂₇H₂₈N₄O₂
• 分子量: 440.545
• InChiKey: SZQOJBUUZPJIPU-FPOVZHCZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  50.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (2R)-quinaldine dioxine brosylate 、 (S)-2-(3-methylpiperazin-1-yl)quinoline 在 乙酸乙酯 、 Brine 、 Sodium sulfate-III 、 silica gel 作用下， 以 二甲基亚砜 、 碳酸氢钠 为溶剂， 反应 16.0h， 以Flash chromatography on silica gel (2/2/96 methanol/2 M ammonia in methanol/methylene chloride) afforded 100 mg (62%) of the title compound as an off-white solid的产率得到(2S)-8-methyl-2-{[(2S)-2-methyl-4-quinolin-2-ylpiperazin-1-yl]methyl}-2,3-dihydro[1,4]dioxino-[2,3-f]quinoline
  参考文献：
  名称：

  Antidepressant arylpiperazine derivatives of heterocycle-fused benzodioxans

  摘要：

  公式I的化合物对于治疗抑郁症（包括但不限于重性抑郁症、儿童抑郁症和心境恶劣）、焦虑症、惊恐障碍、创伤后应激障碍、经前期不良情绪障碍（也称经前综合症）、注意力缺陷障碍（伴有或不伴有多动症）、强迫症、社交焦虑症、广泛性焦虑症、肥胖症、进食障碍（如厌食症和贪食症）、血管运动神经症、可卡因和酒精成瘾、性功能障碍及相关疾病有用。

  公开号：

  US20060276481A1

文献信息

• [EN] ANTIDEPRESSANT ARYLPIPERAZINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS<br/>[FR] DERIVES ARYLPIPERAZINES ANTIDEPRESSEURS DE BENZODIOXANES A FUSION HETEROCYCLIQUE
  申请人：WYETH CORP

  公开号：WO2004024731A1

  公开（公告）日：2004-03-25

  Compounds of the formula I: are useful for the treatment of depression (including but not limited to major depressive disorder, childhood depression and dysthymia), anxiety, panic disorder, post-traumatic stress disorder, premenstrual dysphoric disorder (also known as pre-menstrual syndrome), attention deficit disorder (with and without hyperactivity), obsessive-compulsive disorder, social anxiety disorder, generalized anxiety disorder, obesity eating disorders such as anorexia nervosa and bulimia nervosa, vasomotor flushing, cocaine and alcohol addiction, sexual dysfunction and related illnesses.

  公式I的化合物对治疗抑郁症（包括但不限于重性抑郁障碍、儿童抑郁症和心境恶劣障碍）、焦虑症、恐慌障碍、创伤后应激障碍、经前期情感障碍（也称为经前综合征）、注意力缺陷障碍（伴有和不伴有多动症）、强迫症、社交焦虑障碍、广泛性焦虑障碍、肥胖、厌食症和暴食症等进食障碍、血管运动性潮红、可卡因和酒精成瘾、性功能障碍及相关疾病方面具有用处。
• Antidepressant arylpiperazine derivatives of heterocycle-fused benzodioxans
  申请人：——

  公开号：US20040142926A1

  公开（公告）日：2004-07-22

  Compounds of the formula I: 1 are useful for the treatment of depression (including but not limited to major depressive disorder, childhood depression and dysthymia), anxiety, panic disorder, post-traumatic stress disorder, premenstrual dysphoric disorder (also known as pre-menstrual syndrome), attention deficit disorder (with and without hyperactivity), obsessive-compulsive disorder, social anxiety disorder, generalized anxiety disorder, obesity, eating disorders such as anorexia nervosa and bulimia nervosa, vasomotor flushing, cocaine and alcohol addiction, sexual dysfunction and related illnesses.

  公式I:1的化合物可用于治疗抑郁症（包括但不限于重度抑郁障碍、儿童抑郁症和慢性抑郁症）、焦虑症、恐慌症、创伤后应激障碍、月经前失调症（也称为经前综合症）、注意力缺陷多动障碍（有或没有多动症）、强迫症、社交焦虑症、广泛性焦虑症、肥胖症、饮食失调如厌食症和贪食症、潮红、可卡因和酒精成瘾、性功能障碍及相关疾病的治疗。
• Antidepressant arylpiperazine derivatives of hetrocycle-fused benzodioxans
  申请人：Wyeth

  公开号：US07153849B2

  公开（公告）日：2006-12-26

  Compounds of the formula I: are useful for the treatment of depression (including but not limited to major depressive disorder, childhood depression and dysthymia), anxiety, panic disorder, post-traumatic stress disorder, premenstrual dysphoric disorder (also known as pre-menstrual syndrome), attention deficit disorder (with and without hyperactivity), obsessive-compulsive disorder, social anxiety disorder, generalized anxiety disorder, obesity, eating disorders such as anorexia nervosa and bulimia nervosa, vasomotor flushing, cocaine and alcohol addiction, sexual dysfunction and related illnesses.

  公式为I的化合物对于治疗抑郁症（包括但不限于重度抑郁症、儿童抑郁症和轻度抑郁症）、焦虑症、恐慌症、创伤后应激障碍、经前期不适症（也称经前综合症）、注意力缺陷障碍（伴有或不伴有多动症）、强迫症、社交焦虑症、广泛性焦虑症、肥胖症、饮食失调如厌食症和贪食症、潮红、可卡因和酒精成瘾、性功能障碍以及相关疾病具有治疗作用。
• ANTIDEPRESSANT ARYLPIPERAZINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS
  申请人：Wyeth

  公开号：EP1537121A1

  公开（公告）日：2005-06-08
• US7153849B2
  申请人：——

  公开号：US7153849B2

  公开（公告）日：2006-12-26