5-(3-hydroxyphenyl)-1,3-dihydro-2H-naphtho[1,2-e]-1,4-diazepin-2-one | 1009362-06-4

• 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-hydroxyphenyl)-1,3-dihydro-2H-naphtho[1,2-e]-1,4-diazepin-2-one
• 英文别名: 5-(3-hydroxyphenyl)-1,3-dihydro-2H-naptho-[1,2-e]-1,4-diazepin-2-one；5-(3-hydroxyphenyl)-1,3-dihydrobenzo[i][1,4]benzodiazepin-2-one
• CAS: 1009362-06-4
• 化学式: C₁₉H₁₄N₂O₂
• 分子量: 302.332
• InChiKey: KWOGPMOFEWRCLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  61.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-(3-methoxyphenyl)-1,3-dihydro-2H-naphtho[1,2-e]-1,4-diazepin-2-one 在 三溴化硼 、 水 、 碳酸氢钠 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 0.17h， 以53%的产率得到5-(3-hydroxyphenyl)-1,3-dihydro-2H-naphtho[1,2-e]-1,4-diazepin-2-one
  参考文献：
  名称：

  EP2058304

  摘要：

  公开号：

文献信息

• P 2 X 4 RECEPTOR ANTAGONIST
  申请人：Ushioda Masatoshi

  公开号：US20130178625A1

  公开（公告）日：2013-07-11

  A compound having the following formula (II) or a pharmacologically acceptable salt thereof is used as a P2X 4 receptor antagonist: wherein each of R 11 and R 12 is hydrogen, C 1-8 alkyl or the like; R 13 is hydrogen, C 1-8 alkyl or the like; R 14 is hydrogen, C 1-8 alkyl, C 1-8 alkoxy, C 1-8 alkyl having 1-3 halogens, C 1-8 hydroxyalkyl, halogen, hydroxyl, nitro, cyano, amino, C 1-8 alkylamino, benzenesulfonylamino optionally having a substituent, a heterocyclic group optionally having a substituent or the like; and the condensed ring consisting of W 1 and the neighboring benzene ring is naphthalene, tetrahydronaphthalene, or indan ring.

  具有以下式子（II）或其药理学上可接受的盐的化合物可用作P2X4受体拮抗剂： 其中，R11和R12中的每一个都是氢，C1-8烷基或类似物； R13是氢，C1-8烷基或类似物； R14是氢，C1-8烷基，C1-8烷氧基，具有1-3个卤素的C1-8烷基，C1-8羟基烷基，卤素，羟基，硝基，氰基，氨基，C1-8烷基氨基，苯磺酰氨基（可选取代基），杂环基（可选取代基）或类似物；并且由W1和相邻苯环组成的缩环是萘、四氢萘或茚环。
• PREVENTIVE OR THERAPEUTIC AGENT FOR PAIN ASSOCIATED WITH HERPES ZOSTER IN ACUTE PHASE
  申请人：Kyushu University

  公开号：EP2636414A1

  公开（公告）日：2013-09-11

  A P2X4 receptor antagonist such as paroxetine, a diazepinedione derivative having the following formula (IX) is used as an agent for preventing or treating zoster-associated pain in acute phase: wherein R1 is hydrogen, a C1-8 alkyl group, or the like; each of R2 and R3 is hydrogen, a C1-8 alkyl group, or the like; each of R4 and R5 is hydrogen or the like; and W is a five-membered or six-membered heterocyclic ring optionally having one or more substituents and comprising one to four nitrogen atoms as the members of the ring.

  P2X4 受体拮抗剂，如帕罗西汀，是一种具有下式（IX）的二氮杂环庚二酮衍生物，可用作预防或治疗急性期带状疱疹相关疼痛的药物： 其中 R1 是氢、C1-8 烷基或类似物； R2和R3各自为氢、C1-8烷基或类似物 R4 和 R5 分别为氢或类似物；以及 W 是五元或六元杂环，可选择具有一个或多个取代基，并包括一至四个氮原子作为环的成员。
• P2X4 receptor antagonist
  申请人：NIPPON CHEMIPHAR CO., LTD

  公开号：US10633349B2

  公开（公告）日：2020-04-28

  The present invention relates to a diazepine derivative represented by the following general formula (I) (in the formula, R1 and R2 represent hydrogen atom and the like, or R1 and R2 bind together to form a naphthalene ring and the like together with the benzene ring to which they bind, R3 and R4 represent hydrogen atom and the like, R5 represents hydrogen atom and the like, R6 and R7 represent hydrogen atom and the like, X represents C, CH or N, Y represents N, NH or C(═O), provided that when X is N, Y is not N or NH, and when X is C or CH, Y is not C(═O), Z represents oxygen atom or sulfur atom, A represents benzene ring and the like, B represents NHC(═O) and the like, D represents an atomic bond and the like, E represents an atomic bond and the like, G represents benzene which may be substituted and the like, and m represents an integer of 0 to 5) or a pharmacologically acceptable salt thereof, and a P2X4 receptor antagonist.

  本发明涉及一种由以下通式(I)代表的二氮卓衍生物(式中，R1和R2代表氢原子等，或R1和R2结合在一起与它们结合的苯环一起形成萘环等，R3和R4代表氢原子等，R5代表氢原子等，R6和R7代表氢原子等，X代表C、CH或N，Y代表N、NH或C(═O)、Z 代表氧原子或硫原子，A 代表苯环等，B 代表 NHC(═O) 等，D 代表原子键等、或其药理学上可接受的盐，以及 P2X4 受体拮抗剂。
• P2X4 RECEPTOR ANTAGONIST
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：EP2803662B1

  公开（公告）日：2017-03-01
• PROPHYLACTIC OR THERAPEUTIC AGENT FOR NEUROPATHIC PAIN ASSOCIATED WITH GUILLAIN-BARRE SYNDROME
  申请人：Kyushu University

  公开号：EP2716302B1

  公开（公告）日：2017-09-27