10-(4-Methyl-piperazino)-10,11-dihydro-dibenzothiepin | 1526-83-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫平类
• 英文名称: 10-(4-Methyl-piperazino)-10,11-dihydro-dibenzothiepin
• 英文别名: Perathiepin；1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
• CAS: 1526-83-6
• 化学式: C₁₉H₂₂N₂S
• 分子量: 310.463
• InChiKey: MYFNXITXHNLSJY-UHFFFAOYSA-N

物化性质

• 熔点：
  134-135 °C(Solv: methanol (67-56-1))
• 沸点：
  415.4±45.0 °C(Predicted)
• 密度：
  1.169±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  31.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-碘苯乙酸 在 titanium(IV) isopropylate 、 sodium tetrahydroborate 、 四磷十氧化物 、 铜 、 potassium hydroxide 作用下， 以 水 、 溶剂黄146 、 甲苯 为溶剂， 反应 48.0h， 生成 10-(4-Methyl-piperazino)-10,11-dihydro-dibenzothiepin
  参考文献：
  名称：

  Overcoming chloroquine resistance in malaria: Design, synthesis and structure–activity relationships of novel chemoreversal agents

  摘要：

  Malaria remains a significant infectious disease with even artemisinin-based therapies now facing resistance in the field. Development of new therapies is urgently needed, either by finding new compounds with unique modes of action, or by reversing resistance towards known drugs with 'chemosensitizers' or 'chemoreversal' agents (CRA). Concerning the latter, we have focused on the resistance mechanisms developed against chloroquine (CQ). We have synthesized a series of compounds related to previously identified CRAs, and found promising novel compounds. These compounds show encouraging results in a coumarin labeled chloroquine uptake assay, exhibiting a dose response in resensitising parasites to the antimalarial effects of chloroquine. Selected compounds show consistent potency across a panel of chloroquine and artemisinin sensitive and resistant parasites, and a wide therapeutic window. This data supports further study of CRAs in the treatment of malaria and, ultimately, their use in chloroquine-based combination therapies. (C) 2016 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2016.04.058

文献信息

• Atypical antipsychotic agents having low affinity for the D2 receptor
  申请人：Kapur Shitij

  公开号：US20060166965A1

  公开（公告）日：2006-07-27

  The present invention provides novel compounds of Formula I: The invention further relates to pharmaceutical compositions comprising compounds of Formula I and to methods of using compounds of Formula I to treat neuropsychiatric disorders (e.g., psychosis, depression, schizophrenia).

  本发明提供了式I的新化合物：本发明还涉及包含式I化合物的制药组合物，并涉及使用式I化合物治疗神经精神障碍（例如精神病、抑郁症、精神分裂症）的方法。
• HEDGEHOG PATHWAY ANTAGONISTS AND METHODS OF USE
  申请人：Chen James K.

  公开号：US20110015201A1

  公开（公告）日：2011-01-20

  The present disclosure provides for compounds, pharmaceutical preparations, kits and methods for the inhibition of the Hh pathway and the alleviation of cancer and developmental disorders associated with the Hh pathway.

  本公开提供了用于抑制Hh通路并缓解与Hh通路相关的癌症和发育障碍的化合物、药物制剂、试剂盒和方法。
• 8-Chloro-11-(4-(2'-hydroxyethyl)piperazin-1-yl)-dibenzo[b,f][1,4]oxazepine of atypical anti-psychotic activity and having a low affinity for the dopamine D2 receptor
  申请人：Neuromolecular, Inc.

  公开号：EP1593676A1

  公开（公告）日：2005-11-09

  The present invention provides a compound having the structure: (A-7) = 8-Chloro-11-(4-(2'-hydroxyethyl)piperazin-1-yl)-dibenzo[b,f][1,4]oxazepine, having atypical anti-psychotic activity and a low affinity for the D2 receptor.

  本发明提供了一种具有以下结构的化合物： (A-7) = 8-氯-11-(4-(2'-羟乙基)哌嗪-1-基)-二苯并[b,f][1,4]氧氮杂卓，具有非典型抗精神病活性，对 D2 受体的亲和力较低。
• 11-PIPERAZINYLDIBENZO(B,F)(1,4)OXAZEPINES AND THIAZEPINES AS ATYPICAL ANTIPSYCHOTIC AGENTS HAVING LOW AFFINITY FOR THE D2 RECEPTOR
  申请人：Neuromolecular, Inc.

  公开号：EP1406881B1

  公开（公告）日：2006-09-13
• Overcoming chloroquine resistance in malaria: Design, synthesis and structure–activity relationships of novel chemoreversal agents
  作者：Aicha Boudhar、Xiao Wei Ng、Chiew Yee Loh、Wan Ni Chia、Zhi Ming Tan、Francois Nosten、Brian W. Dymock、Kevin S.W. Tan

  DOI：10.1016/j.ejmech.2016.04.058

  日期：2016.8

  Malaria remains a significant infectious disease with even artemisinin-based therapies now facing resistance in the field. Development of new therapies is urgently needed, either by finding new compounds with unique modes of action, or by reversing resistance towards known drugs with 'chemosensitizers' or 'chemoreversal' agents (CRA). Concerning the latter, we have focused on the resistance mechanisms developed against chloroquine (CQ). We have synthesized a series of compounds related to previously identified CRAs, and found promising novel compounds. These compounds show encouraging results in a coumarin labeled chloroquine uptake assay, exhibiting a dose response in resensitising parasites to the antimalarial effects of chloroquine. Selected compounds show consistent potency across a panel of chloroquine and artemisinin sensitive and resistant parasites, and a wide therapeutic window. This data supports further study of CRAs in the treatment of malaria and, ultimately, their use in chloroquine-based combination therapies. (C) 2016 Elsevier Masson SAS. All rights reserved.