| 478915-51-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• CAS: 478915-51-4
• 化学式: C₉H₆N₂
• 分子量: 142.16
• InChiKey: YBQUCEVKCPANHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  24.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-喹噁啉甲腈 在 sodium azide 、 氯化铵 作用下， 以 N,N-二甲基甲酰胺 、 均三甲苯 为溶剂， 反应 114.8h， 生成
  参考文献：
  名称：

  4-喹啉亚丁烯和2-喹喔啉基卡宾

  摘要：

  通过电子自旋共振（ESR）和红外（IR）光谱鉴定，4-喹啉基叠氮化物22的基质光解可得到4-喹啉基硝烯21。还观察到分配给叠氮苯23（1741 cm -1）的次要吸收。进一步的光解作用会在1902和1909 cm -1处归因于环状酮亚胺19，而在2044 cm -1处归因于开链酮亚胺26且在1982 cm -1处具有较弱的吸收，归因于开环腈。25。2-（5-四唑基）喹喔啉14和三唑并[1,5- a对喹喔啉16在2084 cm -1处产生吸收，这是由于重氮化合物15在温和的快速真空热解（FVT）中形成，并带有Ar基质分离产物。16的基质光解得到重氮化合物15，环状酮亚胺19和开链酮亚胺26。2-喹喔啉基卡宾17也在基质光解中形成，并通过其ESR光谱进行鉴定。FVT为22或15/16时，可以得到4-喹啉基亚硝烯，由Ar-矩阵ESR光谱确定。在两个FVT和光解实验中从这22个中获得的第二个氮烯E

  DOI：

  10.1002/poc.1904

文献信息

• Substituted Fused Pyrrolo-Diazepinones and Uses Thereof
  申请人：Northwestern University

  公开号：US20190276458A1

  公开（公告）日：2019-09-12

  Disclosed are compounds, pharmaceutical compositions, and methods of treatment. The disclosed compounds are based on fused 1,4-diazepine and pyrrolidinedione scaffolds. The compounds may be utilized in pharmaceutical compositions and methods for treating diseases and disorders associated with cell proliferation such as cancer.

  揭示了化合物、药物组合物和治疗方法。所揭示的化合物基于融合的1,4-二氮杂环庚烷和吡咯烷二酮支架。这些化合物可以用于制备药物组合物和治疗方法，用于治疗与细胞增殖相关的疾病和疾病，如癌症。
• Process for the preparation of clobazam and its intermediate
  申请人：PIRAMAL ENTERPRISES LIMITED

  公开号：US10150745B2

  公开（公告）日：2018-12-11

  The present invention provides an improved process for the preparation of 8-chloro-1-phenyl-1H-benzo[b][1,4]diazepine-2,4(3H,5H)-dione (hereafter referred to as the compound (IV)), which is useful as a key intermediate for the synthesis of Clobazam (referred to as the compound (I)) 7-chloro-1-methyl-5-phenyl-1H-benzo[b][1,4]diazepine-2,4(3H,5H)-dione. The process of the present invention further involves transformation of the compound (IV) into Clobazam (I), comprising (a) reacting the compound (II) (as described herein) with monoalkyl malonate in the presence of a coupling agent to obtain the compound (III) (as described herein); followed by the cyclization using a base; (b) reacting the compound-IV (as described herein) obtained from step (a) with methylating agent. The process of the present invention involves formation of novel intermediates methyl 3-((4-chloro-2-(phenylamino)phenyl)amino)-3-oxopropanoate (IIIa) and 3-((4-chloro-2-(phenylamino)phenyl)amino)-3-oxopropanoic acid (V).

  本发明提供了一种制备 8-氯-1-苯基-1H-苯并[b][1,4]二氮杂卓-2,4(3H,5H)-二酮（以下简称化合物(IV)）的改进工艺，该化合物可作为合成氯巴扎姆（简称化合物(I)）的关键中间体。7-chloro-1-methyl-5-phenyl-1H-benzo[b][1,4]diazepine-2,4(3H,5H)-dione.本发明的工艺还包括将化合物(IV)转化为氯巴扎姆(I)，包括(a)在偶联剂存在下，将化合物(II)（如本文所述）与丙二酸单烷基酯反应，得到化合物(III)（如本文所述）；然后使用碱进行环化；(b)将步骤(a)得到的化合物-IV（如本文所述）与甲基化剂反应。本发明的工艺包括形成新型中间体 3-((4-氯-2-(苯基氨基)苯基)氨基)-3-氧代丙酸甲酯(IIIa)和 3-((4-氯-2-(苯基氨基)苯基)氨基)-3-氧代丙酸(V)。
• Transmembrane penetration enhancer
  申请人：Kravchenko Iryna

  公开号：US10245272B2

  公开（公告）日：2019-04-02

  A transmembrane penetration enhancer includes a thermotropic liquid crystal suitably prepared for use in a therapeutic system to improve delivery of at least one active ingredient across a biomembrane and/or skin. The thermotropic liquid crystal comprises at least one cholesteryl ester and is effective in a mesomorphic state at a temperature of the biomembrane and/or skin. A therapeutic system includes the prepared thermotropic liquid crystal for enhanced transmembrane penetration and at least one active ingredient for delivery by the thermotropic liquid crystal. A method for making and using the transmembrane penetration enhancer is presented.

  一种跨膜渗透促进剂包括一种热致性液晶，可适当制备用于治疗系统，以改善至少一种活性成分跨生物膜和/或皮肤的输送。热致性液晶包括至少一种胆固醇酯，在生物膜和/或皮肤的温度下呈中态有效。一种治疗系统包括制备的用于增强跨膜渗透的热致变性液晶和至少一种通过热致变性液晶递送的活性成分。介绍了一种跨膜渗透增强剂的制造和使用方法。
• Transdermal and/or topical delivery system comprising clobazam
  申请人：Aequus Pharmaceuticals Inc.

  公开号：US10449201B2

  公开（公告）日：2019-10-22

  A Transdermal Drug Delivery System (TDDS) of the reservoir or plaster type for administrating clobazam for the treatment of various types of anxiety and epilepsy, for 1 day, 2 day, 3 day, 4 day, 5 day, 6 day and/or 7-day continuous application.

  一种透皮给药系统（TDDS），属于贮液器或膏药类型，用于给药氯巴扎姆，治疗各种类型的焦虑症和癫痫，可连续使用 1 天、2 天、3 天、4 天、5 天、6 天和/或 7 天。
• Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation
  申请人：Global Blood Therapeutics, Inc.

  公开号：US10806733B2

  公开（公告）日：2020-10-20

  Provided are substituted benzaldehydes and derivatives thereof that act as allosteric modulators of hemoglobin, methods and intermediates for their preparation, pharmaceutical compositions comprising the modulators, and methods for their use in treating disorders mediate by hemoglobin and disorders that would benefit from increased tissue oxygenation.

  本文提供了可作为血红蛋白异位调节剂的取代苯甲醛及其衍生物、制备它们的方法和中间体、包含这些调节剂的药物组合物，以及将它们用于治疗由血红蛋白介导的疾病和可从增加组织含氧量中获益的疾病的方法。