5-[3-(5-thioxo-4H-[1,2,4]oxadiazol-3-yl)phenyl]-1H-naphtho[1,2-b][1,4]diazepine-2,4(3H,5H)-dione | 1239578-79-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 5-[3-(5-thioxo-4H-[1,2,4]oxadiazol-3-yl)phenyl]-1H-naphtho[1,2-b][1,4]diazepine-2,4(3H,5H)-dione
• 英文别名: 5-(3-(5-thioxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)-1,5-dihydro-2H-naphtho[1,2-b][1,4]diazepine-2,4(3H)-dione；5-[3-(5-Thioxo-4H-[1,2,4]oxadiazol-3-yl)phenyl]-1H-naphtho[1,2-b][1,4]diazepin-2,4(3H,5H)-dione；5-[3-(5-sulfanylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione
• CAS: 1239578-79-0
• 化学式: C₂₁H₁₄N₄O₃S
• 分子量: 402.433
• InChiKey: BNMITFGQPNUZHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-[3-(5-thioxo-4H-[1,2,4]oxadiazol-3-yl)phenyl]-1H-naphtho[1,2-b][1,4]diazepine-2,4(3H,5H)-dione 在 sodium hydroxide 作用下， 以 水 、 乙腈 为溶剂， 以100%的产率得到5-[3-(5-thioxo-4H-[1,2,4]oxadiazol-3-yl)phenyl]-1H-naphtho[1,2-b][1,4]diazepine-2,4(3H,5H)-dione sodium salt
  参考文献：
  名称：

  Structure–Activity Relationship and Neuroprotective Activity of 1,5-Dihydro-2H-naphtho[1,2-b][1,4]diazepine-2,4(3H)-diones as P2X4 Receptor Antagonists

  摘要：

  DOI：

  10.1021/acs.jmedchem.2c01197
• 作为产物：
  描述：

  3-((1-nitronaphthalen-2-yl)amino)benzonitrile 在 palladium 10% on activated carbon 、 盐酸羟胺 、 氢气 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 、 乙腈 为溶剂， 反应 8.25h， 生成 5-[3-(5-thioxo-4H-[1,2,4]oxadiazol-3-yl)phenyl]-1H-naphtho[1,2-b][1,4]diazepine-2,4(3H,5H)-dione
  参考文献：
  名称：

  [EN] COMPOSITIONS AND METHODS FOR PHARMACOLOGIC TREATMENT OF STROKE AND MYOCARDIAL ISCHEMIA REPERFUSION INJURY
  [FR] COMPOSITIONS ET MÉTHODES POUR LE TRAITEMENT PHARMACOLOGIQUE D'UN ACCIDENT VASCULAIRE CÉRÉBRAL ET D'UNE LÉSION D'ISCHÉMIE-REPERFUSION MYOCARDIQUE

  摘要：

  Compositions and methods for the treatment of a human subject who has had a stroke or myocardial ischemia reperfusion injury, by administering to the subject a pharmaceutical composition including a compound of Formula (I) and/or of Formula (5) or a pharmaceutically acceptable salt and/or formulation thereof. The pharmaceutical composition can be administered in the acute phase of stroke, optionally in combination with a thrombolytic therapeutic or a procedure on the subject involving a clot-removal device.

  公开号：

  WO2023239767A2

文献信息

• Diazepinedione derivative
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：US08778933B2

  公开（公告）日：2014-07-15

  A diazepinedione derivative represented by the formula (I) or a pharmacologically acceptable salt thereof is used as a P2X4 receptor antagonist: wherein R1 represents a hydrogen atom, an alkyl group having 1 to 8 carbon atoms, or the like, R2 and R3 represent a hydrogen atom, an alkyl group having 1 to 8 carbon atoms, a halogen atom, or the like, R4 and R5 represent a hydrogen atom, an alkyl group having 1 to 8 carbon atoms, or the like, and W represents tetrazole or the like.

  公式（I）所代表的一种二氮杂环二酮衍生物或其药学上可接受的盐被用作P2X4受体拮抗剂：其中R1代表氢原子，1至8个碳原子的烷基或类似物，R2和R3代表氢原子，1至8个碳原子的烷基，卤素原子或类似物，R4和R5代表氢原子，1至8个碳原子的烷基或类似物，W代表四唑或类似物。
• DRUG FOR TREATING COUGH
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：EP3766497A1

  公开（公告）日：2021-01-20

  The present invention pertains to a medicament for preventing or treating cough, including, as an active ingredient, a compound having P2X4 receptor antagonistic action, a tautomer, stereoisomer, or pharmaceutically acceptable salt of the compound, or a hydrate or solvate thereof.

  本发明涉及一种预防或治疗咳嗽的药物，其活性成分包括具有 P2X4 受体拮抗作用的化合物、该化合物的同分异构体、立体异构体或药学上可接受的盐，或其水合物或溶液。
• Methods for pharmacologic treatment of stroke
  申请人：University of Connecticut

  公开号：US10695355B2

  公开（公告）日：2020-06-30

  Described herein are methods for the treatment of a human subject who has had a stroke by administering to the subject a pharmaceutical composition including an antagonist of the P2X4 receptor. The antagonist of the P2X4 receptor can be administered in the acute phase of stroke, optionally in combination with a thrombolytic therapeutic or a procedure on the subject involving a clot-removal device.

  本文描述了通过向中风患者施用包括 P2X4 受体拮抗剂的药物组合物来治疗中风患者的方法。P2X4 受体拮抗剂可在中风急性期给药，也可与溶栓疗法或涉及血栓清除装置的手术结合使用。
• DIAZEPINEDIONE DERIVATIVE
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：EP2397480B1

  公开（公告）日：2013-08-14
• METHODS FOR PHARMACOLOGIC TREATMENT OF STROKE
  申请人：University of Connecticut

  公开号：US20180280409A1

  公开（公告）日：2018-10-04

  Described herein are methods for the treatment of a human subject who has had a stroke by administering to the subject a pharmaceutical composition including an antagonist of the P2X4 receptor. The antagonist of the P2X4 receptor can be administered in the acute phase of stroke, optionally in combination with a thrombolytic therapeutic or a procedure on the subject involving a clot-removal device.