氯替平 | 13448-22-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫平类
• 中文名称: 氯替平
• 中文别名: 氯苯噻庚庆
• 英文名称: octoclothepin
• 英文别名: 8 chloro 10 (4 methylpiperazino) 10,11 dihydrodibenzo[b,f]thiepin；1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine；1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methyl-piperazine；1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine；clorotepine；1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
• CAS: 13448-22-1
• 化学式: C₁₉H₂₁ClN₂S
• 分子量: 344.908
• InChiKey: XRYLGRGAWQSVQW-UHFFFAOYSA-N

物化性质

• 熔点：
  100-101 °C(Solv: ethanol (64-17-5))
• 沸点：
  437.9±45.0 °C(Predicted)
• 密度：
  1.1391 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  23
• 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

安全信息

• 海关编码：
  2934999090

反应信息

• 作为产物：
  描述：

  2(4-氯苯硫基)苯乙酸 在 titanium(IV) isopropylate 、 sodium tetrahydroborate 、 四磷十氧化物 作用下， 以 溶剂黄146 、 甲苯 为溶剂， 反应 24.0h， 生成 氯替平
  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

• Pyrrolo[2,1-b][3,1] benzothiazepines and their use for the preparation of medicaments with antipsychotic activity
  申请人：——

  公开号：US20030186959A1

  公开（公告）日：2003-10-02

  Compounds with formula (I) are described where the groups are as defined here below, as well as processes for their preparation, pharmaceutical compositions containing them and their use for the preparation of medicaments with antipsychotic activity.

  描述了具有(I)式的化合物，其中所述的基团如下所定义，以及它们的制备方法，包含它们的制药组合物以及它们用于制备具有抗精神病活性的药物的用途。
• [EN] PSILOCIN DERIVATIVES AS SEROTONERGIC PSYCHEDELIC AGENTS FOR THE TREATMENT OF CNS DISORDERS<br/>[FR] DÉRIVÉS DE PSILOCINE EN TANT QU'AGENTS SÉROTONINERGIQUES SÉROTONINERGIQUES POUR LE TRAITEMENT DE TROUBLES DU SYSTÈME NERVEUX CENTRAL
  申请人：MINDSET PHARMA INC

  公开号：WO2021155470A1

  公开（公告）日：2021-08-12

  The present application relates to psilocin derivatives of Formula (I), to processes for their preparation, to compositions comprising them and to their use in activation of a serotonin receptor in a cell, as well as to treating diseases, disorders or conditions by activation of a serotonin receptor in a cell. (I)

  本申请涉及公式（I）的哌嗪酮衍生物，以及其制备方法、包含它们的组合物以及它们在细胞中激活5-羟色胺受体的使用，以及通过激活细胞中的5-羟色胺受体治疗疾病、障碍或病况。 (I)
• [EN] 3-PYRROLIDINE-INDOLE DERIVATIVES AS SEROTONERGIC PSYCHEDELIC AGENTS FOR THE TREATMENT OF CNS DISORDERS<br/>[FR] DÉRIVÉS DE 3-PYRROLIDINE-INDOLE EN TANT QU'AGENTS PSYCHÉDÉLIQUES SÉROTONINERGIQUES POUR LE TRAITEMENT DE TROUBLES DU SNC
  申请人：MINDSET PHARMA INC

  公开号：WO2021155467A1

  公开（公告）日：2021-08-12

  The present application relates to 3-cyclic amine-indole derivatives of general Formula (I), to processes for their preparation, to compositions comprising them and to their use in activation of a serotonin receptor in a cell, as well as to treating diseases, disorders or conditions by activation of a serotonin receptor in a cell. The diseases, disorders or conditions include, for example, psychosis, mental illnesses, and other neurological diseases, disorders and conditions. Formula (I)

  本申请涉及一般式（I）的3-环氨基吲哚衍生物，以及它们的制备方法、包含它们的组合物和它们在细胞中激活5-羟色胺受体以及通过激活细胞中的5-羟色胺受体治疗疾病、障碍或病况的用途。这些疾病、障碍或病况包括精神病、精神疾病和其他神经疾病、障碍和病况。式（I）：
• Pyrrolo {2,1-b}{1,3}benzothiazepines with atypical antipsychotic activity
  申请人：——

  公开号：US20020006921A1

  公开（公告）日：2002-01-17

  Polycondensated heterocycles with a pyrrole[2,1-b][1,3]benzothiazepine structure of the following formula (I) 1 where the groups are defined as in the description are disclosed. As compared to known antipsychotic agents, these compounds present substantial activity associated with a simultaneous reduction in unwanted extrapyramidal symptoms. These compounds can be formulated in pharmaceutical compositions for the treatment of psychoses such as, for example, schizophrenia.

  本发明公开了具有吡咯[2,1-b][1,3]苯并噻吩结构的聚缩杂环化合物，其化学式如下（I）1，其中所述基团的定义如说明书所述。与已知的抗精神病药物相比，这些化合物呈现出与同时减少不良的锥体外症状相关的显著活性。这些化合物可以制成药物组合物，用于治疗精神病，例如精神分裂症。
• Diagnostic/therapeutic agents
  申请人：Klaveness Jo

  公开号：US20050002865A1

  公开（公告）日：2005-01-06

  Targetable diagnostic and/or therapeutically active agents, e.g. ultrasound contrast agents, comprising a suspension in an aqueous carrier liquid of a reporter comprising gas-containing or gas-generating material, said agent being capable of forming at least two types of binding pairs with a target.

  可定位的诊断和/或治疗活性剂，例如超声对比剂，包括悬浮在水载体液中的报告物，该报告物包含含气体或生成气体的材料，该剂能够与目标形成至少两种结合对。