2-(1,4-diazepan-1-yl)quinoline | 348134-05-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-(1,4-diazepan-1-yl)quinoline
• 英文别名: 2-[1.4]diazepan-1-yl-quinoline
• CAS: 348134-05-4
• 化学式: C₁₄H₁₇N₃
• mdl: MFCD09050020
• 分子量: 227.309
• InChiKey: BPZHEDSZJYCEMQ-UHFFFAOYSA-N

物化性质

• 沸点：
  411.3±30.0 °C(Predicted)
• 密度：
  1.120±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.357
• 拓扑面积：
  28.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2R)-quinaldine dioxine brosylate 、 2-(1,4-diazepan-1-yl)quinoline 在 三乙胺 作用下， 以 二甲基亚砜 为溶剂， 反应 12.0h， 以37%的产率得到(2S)-8-methyl-2-[(4-quinolin-2-yl-1,4-diazepan-1-yl)methyl]-2,3-dihydro[1,4]dioxino[2,3-f]-quinoline
  参考文献：
  名称：

  Synthesis, Potency, and in Vivo Evaluation of 2-Piperazin-1-ylquinoline Analogues as Dual Serotonin Reuptake Inhibitors and Serotonin 5-HT_1A Receptor Antagonists

  摘要：

  On the basis of the previously reported clinical candidate, SSA-426 (1), a series of related 2-piperazin-1-ylquinoline derivatives 3-16 were synthesized and evaluated as dual-acting serotonin (5-HT) reuptake inhibitors and 5-HT1A receptor antagonists. In particular, compound 7 exhibits potent functional activities at both the 5-HT transporter and 5-HT1A receptor, good selectivity over the alpha(1)-adrenergic and dopaminergic receptors, acceptable pharmacokinetic properties, and a favorable in vivo profile.

  DOI：

  10.1021/jm900374r

文献信息

• Substituted piperazine derivatives, the preparation thereofand their use as medicaments
  申请人：——

  公开号：US20030166637A1

  公开（公告）日：2003-09-04

  The present invention relates to substituted piperazine derivatives of general formula 1 , (I wherein R a , R b , R c , R f , R g , X, m and n are defined as in claim 1, the isomers and salts thereof, particularly the physiologically acceptable salts thereof, which are valuable inhibitors of the microsomal triglyceride-transfer protein (MTP), medicaments containing these compounds and their use, as well as the preparation thereof.

  本发明涉及一般式1的取代哌嗪衍生物（I），其中Ra、Rb、Rc、Rf、Rg、X、m和n的定义如权利要求书中所述，其异构体和盐，特别是其生理上可接受的盐，这些盐是微粒体甘油三酯转移蛋白（MTP）的有价值的抑制剂，含有这些化合物的药物以及它们的使用，以及其制备。
• 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。
• Substituted piperazine derivatives, the preparation thereof and their use as medicaments
  申请人：Boehringer Ingelheim Pharma KG

  公开号：US06821967B2

  公开（公告）日：2004-11-23

  The present invention relates to substituted piperazine derivatives of general formula wherein Ra, Rb, Rc, Rf, Rg, X, m and n are defined as in claim 1, the isomers and salts thereof, particularly the physiologically acceptable salts thereof, which are valuable inhibitors of the microsomal triglyceride-transfer protein (MTP), medicaments containing these compounds and their use, as well as the preparation thereof.

  本发明涉及通式如下的取代哌嗪衍生物： 其中Ra、Rb、Rc、Rf、Rg、X、m和n如权利要求1所定义，其异构体和盐，特别是生理上可接受的盐，是微粒体甘油三酯转移蛋白（MTP）有价值的抑制剂，含有这些化合物的药物以及它们的用途，以及它们的制备。
• TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME
  申请人：Kim Bum Tae

  公开号：US20100144712A1

  公开（公告）日：2010-06-10

  A triazole derivative of formula 1 or a pharmaceutically acceptable salt, hydrate, solvate or isomer thereof is superior to the conventional antifungal drugs in antifungal activity against a wide spectrum of pathogenic fungi, and has advantageously low toxicity.

  1号公式的三唑衍生物或其药学上可接受的盐、水合物、溶剂合物或异构体，在抗击广谱病原真菌的抗真菌活性方面优于传统的抗真菌药物，并具有低毒性的优势。
• US6821967B2
  申请人：——

  公开号：US6821967B2

  公开（公告）日：2004-11-23