3-氯-1-(10,11-二氢-5H-二苯并[b,f]氮杂卓-5-基)-1-丙酮 | 19054-67-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 中文名称: 3-氯-1-(10,11-二氢-5H-二苯并[b,f]氮杂卓-5-基)-1-丙酮
• 英文名称: 3-chloro-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-1-propanone
• 英文别名: 3-chloro-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propan-1-one；3-chloro-1-(10,11-dihydrodibenzo[b,f]azepine-5-yl)-propan-1-one；3-chloro-1-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-1-propanone；5-(3-chloro-propionyl)-10,11-dihydro-5H-dibenzo[b,f]azepine；10.11-dihydro-5-[(3-chloro)1-oxopropyl]-5H-dibenzo[b,f]azepin；10,11-Dihydro-5-(3-chlorpropionyl)-5H-dibenz azepin；5-(3-Chloropropanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepine；3-chloro-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-one
• CAS: 19054-67-2
• 化学式: C₁₇H₁₆ClNO
• mdl: MFCD00477463
• 分子量: 285.773
• InChiKey: CBHZSZTVGIGNRU-UHFFFAOYSA-N

物化性质

• 熔点：
  105-106 °C(Solv: ethanol (64-17-5))
• 沸点：
  491.8±44.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  3-氯-1-(10,11-二氢-5H-二苯并[b,f]氮杂卓-5-基)-1-丙酮 在 三氟化硼四氢呋喃络合物 作用下， 生成 5-(3-氯-丙基)-10,11-二氢-5H-二苯并[b,f]氮杂卓
  参考文献：
  名称：

  Influence of chain length and N-alkylation on the selective serotonin receptor ligand 9-(aminomethyl)-9,10-dihydroanthracene

  摘要：

  Comparison of the serotonin 5-HT2A receptor affinities of chain lengthened and N-alkylated analogues of the novel ligand 9-aminomethyl-9,10-dihydroanthracene (AMDA) and a structurally similar prototypical tricyclic amine imipramine suggests that the two agents bind to the receptor in different fashions. The demonstration that AMDA is highly selective for serotonin receptors (5-HT2A, K-i = 20 nM; 5-HT2c, K-i = 43 nM) versus the dopamine D-2 receptor (K-i >10,000 nM), as well as the serotonin and norepinephrine transporters (Ki >10,000 nM) further suggests that AMDA and the nonselective ligand imipramine interact with these target macromolecules in different ways. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00023-3
• 作为产物：
  描述：

  亚氨基二苄 、 3-氯丙酰氯 以 苯 为溶剂， 反应 3.0h， 以91%的产率得到3-氯-1-(10,11-二氢-5H-二苯并[b,f]氮杂卓-5-基)-1-丙酮
  参考文献：
  名称：

  Tricyclic compounds and their uses as antiarrhythmic antifibrillatory and defibrillatory agents

  摘要：

  化合物的一般公式为（II），其中R1是饱和或不饱和的烷基，氨基醇，二氨基，环烷基和C(═O)(CH2)nNR′R″，(CH2)nCHOHCH2NR′R″，其中n是整数，RQ，RT，R′和R″分别是氢，卤素，羟基，饱和，不饱和，脂肪族或支链烷基，取代或未取代的(CH2)m-(杂环)芳基和磺酰胺；q和r分别是从1到4独立选择的整数；以及其药学上可接受的盐，以及新的治疗用途及类似化合物作为除颤药，和/或抗纤颤，和/或抗心律失常和/或抗缺血药物。

  公开号：

  US06908915B1

文献信息

• N-Substituted azaheterocyclic compounds
  申请人：Novo Nordisk A/S

  公开号：US06569849B1

  公开（公告）日：2003-05-27

  The present invention relates to novel N-substituted azaheterocyclic compounds of the general formula wherein X, Y, Z, A, R1, R2, r and s are as defined in the detailed part of the present description or salts thereof, to methods for their preparation, to compositions containing them, and to their use for the clinical treatment of painful, hyperalgesic and/or inflammatory conditions in which C-fibers play a pathophysiological role by eliciting neurogenic pain or inflammation as well as their use for treatment of indications caused by or related to secretion and circulation of insulin antagonising peptides.

  本发明涉及一种新型N-取代的氮杂环化合物，其一般式如下：其中X、Y、Z、A、R1、R2、r和s如本说明书详细部分所定义，或其盐，以及其制备方法、含有它们的组合物、以及它们用于临床治疗疼痛、高敏感和/或炎症症状的用途，其中C纤维在引发神经源性疼痛或炎症方面发挥病理生理作用，以及它们用于治疗由胰岛素拮抗肽的分泌和循环引起或相关的适应症。
• N-substituted azaheterocyclic carboxylic acids and esters thereof
  申请人：Novo Nordisk A/S

  公开号：US06239148B1

  公开（公告）日：2001-05-29

  The present invention relates to novel N-substituted azaheterocyclic carboxylic acids and esters thereof in which a substituted alkyl chain forms part of the N-substituent or salts thereof, to methods for their preparation, to compositions containing them, and to their use for the clinical treatment of painful, hyperalgesic and/or inflammatory conditions in which C-fibers play a pathophysiological role by eliciting neurogenic pain or inflammation.

  本发明涉及新型N-取代的氮杂环羧酸及其酯，其中取代烷基链构成N-取代基的一部分或其盐，以及其制备方法、含有它们的组合物，以及它们在临床治疗疼痛、高敏感和/或炎症条件中的应用，其中C-纤维通过引发神经源性疼痛或炎症发挥病理生理作用。
• Tricyclic compounds in treating hyperalgesic conditions and NIDDM
  申请人：Novo Nordisk A/S

  公开号：US05962449A1

  公开（公告）日：1999-10-05

  The present invention relates to novel N-substituted amino acids and esters thereof in which a substituted alkyl chain forms part of the N-substituent or salts thereof, to methods for their preparation, to compositions containing them, and to their use for the clinical treatment of painful, hyperalgesic and/or inflammatory conditions in which C-fibers play a pathophysiological role by eliciting neurogenic pain or inflammation.

  本发明涉及新颖的N-取代氨基酸及其酯，其中取代的烷基链形成N-取代基的一部分或其盐，以及它们的制备方法、含有它们的组合物，以及它们在临床治疗疼痛、过敏性疼痛和/或炎症情况中的用途，其中C-纤维通过引发神经源性疼痛或炎症发挥病理生理作用。
• Synthesis and pharmacological investigation of acyl derivatives of iminodibenzyl
  作者：V. N. Bagal、I. Ya. Kvitko、I. P. Lapin、B. A. Porai-Koshits、O. V. Favorskii

  DOI：10.1007/bf00761591

  日期：1967.12

  Conclusions1.The reaction ofβ-haloacyl derivatives of iminodibenzyl with different amines leads to the formation ofβ-aminoacyl derivatives of iminodibenzyl.2.Of the synthesized compounds, N-(β-methylamino-,β-dimethylamino-,β-diethylaminopropionyl)- and (β-diethylamino-α-methylpropionyl)iminodibenzyls can be regarded as prospective antidepressants and deserve clinical examination.

  结论1.亚氨基二苄基的β-卤代酰基衍生物与不同的胺反应生成了亚氨基二苄基的β-氨基酰基衍生物。2.合成的化合物中，N-(β-甲氨基-,β-二甲氨基-,β-二乙氨基丙酰基)-和(β-二乙氨基-α-甲基丙酰基)亚氨基二苄可被视为具有前瞻性的抗抑郁药，值得临床检查。
• N-substituted azaheterocyclic carboxylic acids and their use
  申请人：Novo Nordisk A/S

  公开号：US06613791B1

  公开（公告）日：2003-09-02

  N-substituted azaheterocycyclic carboxylic acids and esters thereof of the formula I wherein Z, X, R1, R2 and r are defined in the specification. Compositions thereof and methods for preparing the compounds are disclosed. The compounds are useful for clinical treatment of painful, hyperalgesic and/or inflammatory conditions in which C-fibers play a pathophysiological role by eliciting neurogenic pain or inflammations.

  本发明公开了式I中Z、X、R1、R2和r在说明书中定义的N-取代的杂环羧酸及其酯类。公开了这些化合物的组成及其制备方法。这些化合物在临床治疗C纤维通过引起神经源性疼痛或炎症所起的病理生理作用的疼痛、高敏感和/或炎症病症中非常有用。