2-氯-11-(4-甲基-1-哌嗪基)-5H-二苯并(b,e)(1,4)二氮杂卓 | 1977-08-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 中文名称: 2-氯-11-(4-甲基-1-哌嗪基)-5H-二苯并(b,e)(1,4)二氮杂卓
• 英文名称: 8-chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine
• 英文别名: 2-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine；Isoclozapine；2-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine；8-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
• CAS: 1977-08-8
• 化学式: C₁₈H₁₉ClN₄
• 分子量: 326.829
• InChiKey: APOMSSAGEAOUGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  30.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-氯-11-(4-甲基-1-哌嗪基)-5H-二苯并(b,e)(1,4)二氮杂卓 在 溶剂黄146 、 锌 、 亚硝酸异戊酯 作用下， 以 二氯甲烷 为溶剂， 生成 2-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,e][1,4]diazepin-5-ylamine
  参考文献：
  名称：

  Modification of the clozapine structure by parallel synthesis

  摘要：

  A structure-activity study based on the core structure of clozapine 1b was accomplished by utilizing high-throughput synthesis. Several focused libraries were designed and synthesized to quickly develop SAR. The results indicate that by varying different regions of clozapine, both D-1-selective and D-2-selective compounds can be obtained. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.034
• 作为产物：
  描述：

  2-碘苯甲酸乙酯, 在 potassium phosphate 、 copper(l) iodide 、 1,3-二氯-5,5-二甲基海因 、 N,N-二甲基苯胺 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 反应 27.08h， 生成 2-氯-11-(4-甲基-1-哌嗪基)-5H-二苯并(b,e)(1,4)二氮杂卓
  参考文献：
  名称：

  二苯二氮卓类衍生物抗肿瘤活性的合成与评价

  摘要：

  摘要 通过使用简洁的方法制备了一系列在 C-11 位带有N-甲基哌嗪的二苯并二氮杂2-位衍生物。在五种细胞系中测试了它们的体外肿瘤细胞增殖抑制活性，包括乳腺癌细胞BCAP37、胃癌细胞SGC7901、肝癌细胞HepG2、宫颈癌细胞HeLa和急性早幼粒细胞白血病细胞HL-60。几种化合物显示出有效的肿瘤活性，IC 50值低至 0.30 μM。这些化合物有望成为一类新的潜在抗癌先导化合物。 图形摘要

  DOI：

  10.1007/s11030-020-10051-z

文献信息

• COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES
  申请人：Johansen Lisa M.

  公开号：US20100009970A1

  公开（公告）日：2010-01-14

  The present invention features compositions, methods, and kits useful in the treatment of viral diseases. In certain embodiments, the viral disease is caused by a single stranded RNA virus, a flaviviridae virus, or a hepatic virus. In particular embodiments, the viral disease is viral hepatitis (e.g., hepatitis A, hepatitis B, hepatitis C, hepatitis D, hepatitis E) and the agent or combination of agents includes sertraline, a sertraline analog, UK-416244, or a UK-416244 analog. Also featured are screening methods for identification of novel compounds that may be used to treat a viral disease.

  本发明涉及用于治疗病毒性疾病的组合物、方法和试剂盒。在某些实施方式中，病毒性疾病是由单链RNA病毒、黄病毒科病毒或肝病毒引起的。在特定实施方式中，病毒性疾病是病毒性肝炎（例如甲型肝炎、乙型肝炎、丙型肝炎、丁型肝炎、戊型肝炎），药剂或药剂组合包括舍曲林、舍曲林类似物、UK-416244或UK-416244类似物。还包括用于鉴定可用于治疗病毒性疾病的新化合物的筛选方法。
• Use of combinations comprising a corticosteroid and a pyrimidopyrimidine in the treatment of inflammatory diseases
  申请人：Combinatorx, Incorporated

  公开号：EP2070550A1

  公开（公告）日：2009-06-17

  The invention features a method for treating a patient diagnosed with, or at risk of developing, an immunoinflammatory disorder by administering to the patient a tetra-substituted pyrimidopyrimidine, either alone or in combination with one or more additional agents. The invention also features a composition containing a tetra-substituted pyrimidopyrimidine in combination with one or more additional agents.

  本发明的特点是通过向患者单独或与一种或多种附加制剂联合使用四取代嘧啶嘧啶，治疗被诊断患有或有可能患上免疫炎症性疾病的患者。本发明的另一个特点是含有四取代嘧啶嘧啶的组合物与一种或多种附加制剂的组合物。
• Delivery of antipsychotics through an inhalation route
  申请人：——

  公开号：US20030017118A1

  公开（公告）日：2003-01-23

  The present invention relates to the delivery of antipsychotics through an inhalation route. Specifically, it relates to aerosols containing antipsychotics that are used in inhalation therapy. In a composition aspect of the present invention, the aerosol comprises particles comprising at least 5 percent by weight of an antipsychotic. In a method aspect of the present invention, an antipsychotic is delivered to a mammal through an inhalation route. The method comprises: a) heating a composition, wherein the composition comprises at least 5 percent by weight of an antipsychotic, to form a vapor; and, b) allowing the vapor to cool, thereby forming a condensation aerosol comprising particles, which is inhaled by the mammal. In a kit aspect of the present invention, a kit for delivering an antipsychotic through an inhalation route to a mammal is provided which comprises: a) a composition comprising at least 5 percent by weight of an antipsychotic; and, b) a device that forms an antipsychotic containing aerosol from the composition, for inhalation by the mammal.

  本发明涉及通过吸入途径给药抗精神病药物。具体而言，本发明涉及用于吸入治疗的含有抗精神病药物的气雾剂。在本发明的组合物方面，气雾剂包含按重量计至少含 5%抗精神病药的颗粒。在本发明方法的一个方面，通过吸入途径向哺乳动物递送抗精神病药物。该方法包括：a)加热组合物，其中组合物包含按重量计至少5%的抗精神病药，以形成蒸气；b)使蒸气冷却，从而形成包含颗粒的冷凝气溶胶，由哺乳动物吸入。在本发明的一个试剂盒方面，提供了一种通过吸入途径向哺乳动物提供抗精神病药的试剂盒，该试剂盒包括：a) 一种组合物，按重量计包含至少 5%的抗精神病药；b) 一种装置，从组合物中形成含有抗精神病药的气溶胶，供哺乳动物吸入。
• Combination therapy for the treatment of immunoinflammatory disorders
  申请人：——

  公开号：US20040224876A1

  公开（公告）日：2004-11-11

  The invention features a method for treating a patient diagnosed with, or at risk of developing, an immunoinflammatory disorder by administering a non-steroidal immunophilin-dependent immunosuppressant (NsIDI) and an NsIDI enhancer (NsIDIE) or analog or metabolite thereof to the patient. The invention also features a pharmaceutical composition containing an NsIDI and NsIDIE or analog or metabolite thereof for the treatment or prevention of an immunoinflammatory disorder.

  本发明的特点是通过向患者施用非甾体类免疫嗜血素依赖性免疫抑制剂（NsIDI）和NsIDI增强剂（NsIDIE）或其类似物或代谢物来治疗被诊断患有或有可能患上免疫炎症性疾病的患者。本发明还具有一种含有 NsIDI 和 NsIDIE 或其类似物或代谢物的药物组合物，用于治疗或预防免疫炎症性疾病。
• Methods and reagents for the treatment of immunoinflammatory disorders
  申请人：Keith Curtis

  公开号：US20050119160A1

  公开（公告）日：2005-06-02

  The invention features a method for treating a patient diagnosed with, or at risk of developing, an immunoinflammatory disorder by administering to the patient a tetra-substituted pyrimidopyrimidine, either alone or in combination with one or more additional agents. The invention also features a composition containing a tetra-substituted pyrimidopyrimidine in combination with one or more additional agents.

  本发明的特点是通过向患者单独或与一种或多种附加制剂联合使用四取代嘧啶嘧啶，治疗被诊断患有或有可能患上免疫炎症性疾病的患者。本发明的另一个特点是含有四取代嘧啶嘧啶的组合物与一种或多种附加制剂的组合物。