1,3,8-三氮杂螺[4.5]癸-4-酮 | 56186-25-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 中文名称: 1,3,8-三氮杂螺[4.5]癸-4-酮
• 英文名称: 1,3,8-triazaspiro[4.5]decan-4-one
• CAS: 56186-25-5
• 化学式: C₇H₁₃N₃O
• mdl: MFCD09832217
• 分子量: 155.2
• InChiKey: JRKPNHLSQGAUDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  53.2
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3,8-三氮杂螺[4.5]癸-4-酮 在 甲醇 、 potassium tert-butylate 、 四丁基碘化铵 、 caesium carbonate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 4.33h， 生成 3-((1H-indol-3-yl)methyl)-8-(4,6-dimethylpyrimidin-2-yl)-1,3,8-triazaspiro[4.5]decan-4-one
  参考文献：
  名称：

  Di/tri-aza-spiro-C9-C11alkanes

  摘要：

  该发明涉及公式IA-D-C(R1)2—B中的化合物  (I)，其中取代基如规范中所定义；以自由形式或盐形式存在；以及其制备、用作药物和包含它的药物的用途。

  公开号：

  US20120165331A1
• 作为产物：
  描述：

  4-氨基-1-苄基哌啶-4-甲腈 在 palladium on activated charcoal 盐酸 、 sodium tetrahydroborate 、 硫酸 、 氢气 作用下， 25.0~60.0 ℃ 、275.79 kPa 条件下， 反应 34.0h， 生成 1,3,8-三氮杂螺[4.5]癸-4-酮
  参考文献：
  名称：

  Spiperone:  Influence of Spiro Ring Substituents on 5-HT_2A Serotonin Receptor Binding

  摘要：

  Spiperone (1) is a widely used pharmacological tool that acts as a potent dopamine D-2, serotonin 5-HT1A, and serotonin 5-HT2A antagonist. Although spiperone also binds at 5-HT2C receptors, it is one of the very few agents that display some (ca. 1000-fold) binding selectivity for 5-HT2A versus 5-HT2C receptors and, hence, might serve as a useful template for the development of novel 5-HT2A antagonists if the impact of its various substituent groups on binding was known. In the present investigation we focused on the 1,3,8-triazaspiro[4.5]decanone portion of spiperone and found that replacement of the N-1-phenyl group with a methyl group only slightly decreased affinity for cloned rat 5-HT2A receptors. However, N-1-methyl derivatives displayed significantly reduced affinity for 5-HT1A, 5-HT2C, and dopamine D-2 receptors. Several representative examples were shown to behave as 5-HT2 antagonists. As such, N-1-alkyl analogues of spiperone may afford entry into a novel series of 5-HT2A-selective antagonists.

  DOI：

  10.1021/jm980452a

文献信息

• [EN] PHENOTHIAZINE DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS DE PHÉNOTHIAZINE ET LEURS UTILISATIONS
  申请人：CAMP4 THERAPEUTICS CORP

  公开号：WO2019195789A1

  公开（公告）日：2019-10-10

  The present invention provides phenothiazine compounds, processes for their preparation, pharmaceutical compositions comprising the compounds, and the use of the compounds or the compositions in the treatment of various diseases or conditions, for example ribosomal disorders and ribosomopathies, e.g. Diamond Blackfan anemia (DBA).

  本发明提供了吩噻嗪化合物，其制备方法，包含该化合物的药物组合物，以及在治疗各种疾病或症状中使用该化合物或组合物，例如核糖体紊乱和核糖体病，例如钻石-布莱克范贫血（DBA）。
• THERAPEUTIC COMPOUNDS
  申请人：CELGENE QUANTICEL RESEARCH, INC.

  公开号：US20180296543A1

  公开（公告）日：2018-10-18

  The present embodiments relate to substituted heterocyclic derivative therapeutic compounds, compositions comprising said compounds, and the use of said compounds and compositions for epigenetic regulation by inhibition of bromodomain-mediated recognition of acetyl lysine regions of proteins, such as histones. Said compositions and methods are useful for the treatment of diseases mediated by aberrant cell signalling, such as inflammatory disorders, cancer and neoplastic disease. Particular compounds described herein exhibit selective inhibitory activity against CBP compared with BRD4.

  本发明涉及取代杂环衍生物治疗性化合物，包括所述化合物的组合物，以及通过抑制溴结构域介导的乙酰赖氨酸蛋白区域（如组蛋白）的识别，来用于表观遗传调控的所述化合物和组合物。所述组合物和方法对于治疗由异常细胞信号介导的疾病，如炎症性疾病、癌症和肿瘤性疾病，是有用的。特别是，此处描述的某些化合物对CBP显示出相对于BRD4的选择性抑制活性。
• 1,3,8-Triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders
  申请人：——

  公开号：US20030109539A1

  公开（公告）日：2003-06-12

  The present invention is directed to novel 1,3,8-triazaspiro[4.5]decan-4-one derivatives of the general formula 1 wherein all variables are as defined herein, useful in the treatment of disorders and conditions mediated by the ORL-1 G-protein coupled receptor. More particularly, the compounds of the present invention are useful in the treatment of disorders and conditions such as anxiety, depression, substance abuse, neuropathic pain, acute pain, migraine, asthma, cough and for improved cognition.

  本发明涉及一种新颖的一舁3，8-三氮杂螺[4.5]癸烷-4-酮衍生物，其一般式如下： 1 其中所有变量如本文所定义，在治疗由ORL-1 G蛋白偶联受体介导的疾病和症状中有用。更具体地，本发明的化合物在治疗焦虑、抑郁、物质滥用、神经病痛、急性疼痛、偏头痛、哮喘、咳嗽和改善认知方面有用。
• SUBSTITUTED ESTRATRIENE DERIVATIVES AS 17BETA HSD INHIBITORS
  申请人：MESSINGER Josef

  公开号：US20080255075A1

  公开（公告）日：2008-10-16

  Substituted estratriene compounds of formula (I) useful in therapy, especially in the treatment or inhibition of a steroid hormone dependent disorder requiring the inhibition of a 17β-hydroxysteroid dehydrogenase (17β-HSD) type 1, type 2 and/or type 3 enzyme, as well as their salts, pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  公式（I）中的替代雌三烯化合物在治疗中很有用，特别是在治疗或抑制需要抑制17β-羟基类固醇脱氢酶（17β-HSD）类型1、类型2和/或类型3酶的类固醇激素依赖性疾病方面，以及它们的盐、含有这种化合物的药物组合物和制备这种化合物的方法。
• KV1.5 POTASSIUM CHANNEL INHIBITORS
  申请人：Janusz Michael John

  公开号：US20070299072A1

  公开（公告）日：2007-12-27

  The present invention relates to 4-oxo-1,3,8-triaza-spiro[4.5]decanes which are useful as Kv1.5 potassium channel inhibitors providing atrial-selective antiarrhythmic activity. The present invention further relates to compositions and methods for treating atrial-selective antiarrhythmia.

  本发明涉及作为Kv1.5钾通道抑制剂的4-氧代-1,3,8-三氮杂螺[4.5]癸烷，具有提供房性选择性抗心律失常活性的作用。本发明还涉及用于治疗房性选择性抗心律失常的组合物和方法。