7-benzyl-6,7,8,9,10,12-hexahydro-6,12-dioxo-5-phenyl[1,4]diazepino[2,1-g][1,7]naphthyridine | 183550-03-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 7-benzyl-6,7,8,9,10,12-hexahydro-6,12-dioxo-5-phenyl[1,4]diazepino[2,1-g][1,7]naphthyridine
• 英文别名: 7-benzyl-5-phenyl-9,10-dihydro-8H-[1,4]diazepino[2,1-g][1,7]naphthyridine-6,12-dione
• CAS: 183550-03-0
• 化学式: C₂₅H₂₁N₃O₂
• 分子量: 395.461
• InChiKey: HPWHYAUZFLJTIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  53.5
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Heterocyclic compounds, their production and use
  申请人：——

  公开号：US20020132817A1

  公开（公告）日：2002-09-19

  A compound represented by the formula: 1 wherein ring M is a heterocyclic ring wherein —X═Y< is one of —N═C<, —CO—N< or —CS—N<; R a and R b are bonded to each other to form Ring A, or they are the same or different and represent, independently, a hydrogen atom or a substituent on the Ring M; Ring A and Ring B represent, independently, an optionally substituted homocyclic or heterocyclic ring, with the proviso that at least one of them is an optionally substituted heterocyclic ring; Ring C is an optionally substituted homocyclic or heterocyclic ring; Ring Z is an optionally substituted nitrogen-containing heterocyclic ring; and n is an integer from 1 to 6, or a salt thereof has a tachykinin receptor antagonistic activity in vitro, and is useful for preventing or treating depression, anxiety, manic-depressive illness or psychopathy.

  一种由以下通式表示的化合物：1，其中环M为杂环环，其中—X═Y<为—N═C<、—CO—N<或—CS—N<之一；Ra和Rb彼此连接形成环A，或者它们相同或不同，独立地表示氢原子或环M上的取代基；环A和环B独立地表示可任选取代的碳环或杂环环，条件是至少一个为可任选取代的杂环环；环C为可任选取代的碳环或杂环环；环Z为可任选取代的含氮杂环环；n为1至6的整数，或其盐在体外具有速激肽受体拮抗活性，并可用于预防或治疗抑郁症、焦虑症、双相情感障碍或精神病。
• Cyclic compounds, their production and use as tachykinin receptor antagonists
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0733632A1

  公开（公告）日：1996-09-25

  Novel compounds of the following general formula or salts thereof. wherein Ring M is a heterocyclic ring having -N=C<, -CO-N< or -CS-N< as the partial structure -X Y<; Ra and Rb are bonded to each other to form Ring A, or they are the same or different and represent, independently, a hydrogen atom or a substituent on the Ring M; Ring A and Ring B represent, independently, an optionally substituted homocyclic or heterocyclic ring, and at least one of them is optionally substituted heterocyclic ring; Ring C is optionally substituted homocyclic or heterocyclic ring; Rng Z is an optionally substituted ring; and n represents an integer of from 1 to 6, or a salt thereof, which has an excellent tachykinin receptor antagonistic effect, and their production, and pharmaceutical compositions.

  以下通式的新型化合物或其盐。 其中，环 M 是具有-N=C<、-CO-N<或-CS-N<作为部分结构-X Y<的杂环；Ra 和 Rb 相互键合形成环 A，或者它们相同或不同，并独立地代表环 M 上的氢原子或取代基；环 A 和环 B 独立地代表任选取代的同环或杂环，其中至少一个是任选取代的杂环；环 C 是任选取代的同环或杂环； Rng Z 是任选取代的环； n 代表 1 至 6 的整数，或其盐，具有优异的速激肽受体拮抗作用，及其生产和药物组合物。
• DRUGS
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1145714A1

  公开（公告）日：2001-10-17

  The present invention relates to a medicine which comprises a compound (I) of the formula: [wherein the ring M is a heterocylic ring having -N=C<, -CO-N< or -CS-N< as a partial structure ―X=Y〈, Ra and Rb are bound to each other to form the ring A, or they are the same or different each representing a hydrogen atom or a substituent on the ring M; the rings A and B each is an optionally substituted homocycle or heterocycle, and at least one of them is an optionally substituted heterocycle; the ring C is an optionally substituted homocycle or heterocycle; the ring Z is an optionally substituted nitrogen-containing heterocycle; and n is an integer of 1 to 6] or a salt thereof in combination with a drug having an emetic action. The compounds (I) or their salts are useful as anti-emetic drugs. Particularly, vomiting caused by drugs having an emetic action can be inhibited by these compounds rapidly and safely at a low dose.

  本发明涉及一种药物，该药物由式(I)化合物组成： [其中环 M 是杂环，具有-N＝C〈、-CO-N〈或-CS-N〈作为部分结构-X＝Y〈、 Ra 和 Rb 相互结合形成环 A，或者它们相同或不同，各自代表环 M 上的一个氢原子或一个取代基； 环 A 和环 B 各自是任选取代的均环或杂环，其中至少一个是任选取代的杂环； 环 C 是任选取代的均环或杂环 环 Z 是任选取代的含氮杂环；以及 n 是 1 至 6 的整数］ 或其盐与具有催吐作用的药物结合使用。 化合物 (I) 或其盐类可用作止吐药。特别是，具有催吐作用的药物引起的呕吐，可以通过这些化合物以低剂量快速安全地抑制。
• Heterocyclic compounds, their production and use as tachykinin receptor antagonists
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1184036A2

  公开（公告）日：2002-03-06

  A compound represented by the formula: wherein ring M is a heterocyclic ring wherein is one of -N=C<, -CO-N< or -CS-N<; Ra and Rb are bonded to each other to form Ring A, or they are the same or different and represent, independently, a hydrogen atom or a substituent on the Ring M; Ring A and Ring B represent, independently, an optionally substituted homocyclic or heterocyclic ring, with the proviso that at least one of them is an optionally substituted heterocyclic ring; Ring C is an optionally substituted homocyclic or heterocyclic ring; Ring Z is an optionally substituted nitrogen-containing heterocyclic ring; and n is an integer from 1 to 6, or a salt thereof has a tachykinin receptor antagonistic activity in vitro, and is useful for preventing or treating depression, anxiety, manic-depressive illness or psychopathy.

  式所代表的化合物： 其中环 M 是杂环，其中 是-N=C<、-CO-N<或-CS-N<中的一种； Ra 和 Rb 相互结合形成环 A，或者它们相同或不同，并独立地代表氢原子或环 M 上的取代基； 环 A 和环 B 独立地代表任选取代的同环或杂环，但其中至少有一个是任选取代的杂环； 环 C 是任选取代的均环或杂环； 环 Z 是任选取代的含氮杂环；以及 n 是 1 至 6 的整数，或其盐在体外具有速激肽受体拮抗活性，可用于预防或治疗抑郁症、焦虑症、躁狂抑郁症或精神病。
• PREVENTIVES/REMEDIES FOR EMOTIONAL DISORDERS
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1323429A1

  公开（公告）日：2003-07-02

  An agent for the prophylaxis or treatment of an emotional disorder, which contains the NK-1 receptor antagonist having particular properties of (1) having no serotonin uptake inhibitory effect, (2) being capable of migrating into the hypothalamus, or (3) having an inhibitory effect on micturition reflex, an agent for the prophylaxis or treatment of depression accompanied by urinary frequency, urinary incontinence and/or irritable bowel syndrome, which contains an NK-1 receptor antagonist, an agent for the prophylaxis or treatment of a mood disorder of patients with urinary frequency and urinary incontinence, and a circadian rhythm controller for the hypothalamic endocrine system are provided.

  一种用于预防或治疗情感障碍的制剂，其中含有 NK-1 受体拮抗剂，其特殊性质为：(1) 无血清素摄取抑制作用；(2) 能迁移到下丘脑；或 (3) 对排尿反射有抑制作用、提供了一种预防或治疗伴有尿频、尿失禁和/或肠易激综合征的抑郁症的药物，其中含有一种 NK-1 受体拮抗剂；一种预防或治疗伴有尿频和尿失禁的患者的情绪障碍的药物；以及一种下丘脑内分泌系统昼夜节律控制器。