八氢对苯二酚-4(1H)-酮 | 58869-89-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉类
• 中文名称: 八氢对苯二酚-4(1H)-酮
• 中文别名: 八氢-4(1h)-喹啉酮
• 英文名称: octahydroquinolin-4(1H)-one
• 英文别名: Octahydro-4(1h)-quinolinone；2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
• CAS: 58869-89-9
• 化学式: C₉H₁₅NO
• mdl: MFCD02734410
• 分子量: 153.224
• InChiKey: VZTBFFGJFFYFRT-UHFFFAOYSA-N

物化性质

• 沸点：
  135-140 °C(Press: 15 Torr)
• 密度：
  1.014±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  避免接触氧化物

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.888
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933499090
• 储存条件：
  在密封的贮藏器内，并将其置于阴凉、干燥的地方保存。

反应信息

• 作为反应物：
  描述：

  八氢对苯二酚-4(1H)-酮 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以96.8%的产率得到decahydroquinolin-4-ol
  参考文献：
  名称：

  FXR受体激动剂

  摘要：

  本发明属于医药技术领域，具体涉及式(I)所示的化合物、其药学上可接受的盐、酯或其立体异构体，R1、R2、R3、M1、M2、Q、L、环A、环B、m如说明书及权利要求书中所定义；本发明还涉及这些化合物的制备方法、药物制剂及在用于制备治疗和/或预防由FXR受体介导的非酒精性脂肪肝、原发性胆汁性肝硬化、脂质代谢紊乱、糖尿病并发症及恶性肿瘤等相关疾病的药物中的应用。

  公开号：

  CN109575008B
• 作为产物：
  描述：

  1-(cyclohex-1-en-1-yl)-3-(dimethylamino)propan-1-one 在 ammonium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 八氢对苯二酚-4(1H)-酮
  参考文献：
  名称：

  Decahydroquinoline amides as highly selective CB2 agonists: Role of selectivity on in vivo efficacy in a rodent model of analgesia

  摘要：

  A novel series of decahydroquinoline CB2 agonists is described. Optimization of the amide substituent led to improvements in CB2/CB1 selectivity as well as physical properties. Two key compounds were examined in the rat CFA model of acute inflammatory pain. A moderately selective CB2 agonist was active in this model. A CB2 agonist lacking functional CB1 activity was inactive in this model despite high in vivo exposure both peripherally and centrally. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.078

文献信息

• CYCLIC AMIDE DERIVATIVES AS INHIBITORS OF 11 - BETA - HYDROXYSTEROID DEHYDROGENASE AND USES THEREOF
  申请人：CONNEXIOS LIFE SCIENCES PVT. LTD.

  公开号：US20150158860A1

  公开（公告）日：2015-06-11

  The present invention relates to certain amide derivatives that have the ability to inhibit 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD-1) and which are therefore useful in the treatment of certain disorders that can be prevented or treated by inhibition of this enzyme. In addition the invention relates to the compounds, methods for their preparation, pharmaceutical compositions containing the compounds and the uses of these compounds in the treatment of certain disorders. It is expected that the compounds of the invention will find application in the treatment of conditions such as non-insulin dependent type 2 diabetes mellitus (NIDDM), insulin resistance, obesity, impaired fasting glucose, impaired glucose tolerance, lipid disorders such as dyslipidemia, hypertension and as well as other diseases and conditions.

  本发明涉及某些酰胺衍生物，这些衍生物具有抑制11-β-羟基类固醇脱氢酶1型（11β-HSD-1）的能力，因此在预防和治疗可以通过抑制该酶来预防或治疗的某些疾病中是有用的。此外，发明还涉及这些化合物的制备方法、含有这些化合物的药物组合物以及这些化合物在治疗某些疾病中的用途。预计本发明的化合物将在治疗非胰岛素依赖型2型糖尿病（NIDDM）、胰岛素抵抗、肥胖、空腹血糖受损、葡萄糖耐量受损、脂质紊乱（如血脂异常）、高血压以及其他疾病和状况中找到应用。
• Heterocyclic derivatives as metabotropic glutamate receptor modulators
  申请人：Merz Pharma GmbH & Co. KGaA

  公开号：EP2650284A1

  公开（公告）日：2013-10-16

  The invention relates to heterocyclic derivatives of formula I as well as their pharmaceutically acceptable salts. The invention further relates to a process for the preparation of such compounds. The compounds of the invention are mGluR5 modulators and are therefore useful for the control and prevention of acute and/or chronic neurological disorders.

  这项发明涉及公式I的杂环衍生物及其药学上可接受的盐。该发明还涉及制备这类化合物的方法。该发明的化合物是mGluR5调节剂，因此对于控制和预防急性和/或慢性神经系统疾病是有用的。
• [EN] CYCLIC AMIDE DERIVATIVES AS INHIBITORS OF 11 - BETA - HYDROXYSTEROID DEHYDROGENASE AND USES THEREOF<br/>[FR] DÉRIVÉS D'AMIDE CYCLIQUES À UTILISER EN TANT QU'INHIBITEURS DE 11-BÊTA-HYDROXYSTÉROÏDE DÉSHYDROGÉNASE ET UTILISATIONS DE CEUX-CI
  申请人：CONNEXIOS LIFE SCIENCES PVT LTD

  公开号：WO2013128465A1

  公开（公告）日：2013-09-06

  The present invention relates to certain amide derivatives that have the ability to inhibit 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD-1) and which are therefore useful in the treatment of certain disorders that can be prevented or treated by inhibition of this enzyme. In addition the invention relates to the compounds, methods for their preparation, pharmaceutical compositions containing the compounds and the uses of these compounds in the treatment of certain disorders. It is expected that the compounds of the invention will find application in the treatment of conditions such as non-insulin dependent type 2 diabetes mellitus (NIDDM), insulin resistance, obesity, impaired fasting glucose, impaired glucose tolerance, lipid disorders such as dyslipidemia, hypertension and as well as other diseases and conditions.

  本发明涉及某些酰胺衍生物，这些衍生物具有抑制11-β-羟基类固醇脱氢酶1型（11β-HSD-1）的能力，因此在预防或治疗可通过抑制该酶来预防或治疗的某些疾病中是有用的。此外，本发明还涉及这些化合物的制备方法、含有这些化合物的药物组合物以及这些化合物在治疗某些疾病中的用途。预计本发明的化合物将用于治疗非胰岛素依赖型2型糖尿病（NIDDM）、胰岛素抵抗、肥胖、空腹血糖受损、葡萄糖耐量受损、脂质紊乱（如血脂异常）、高血压以及其它疾病和状况。
• 4-Oxooctahydroquinoline-1(2H)-carboxamides as hepatitis B virus (HBV) capsid core protein assembly modulators
  作者：Nicky Hwang、Haiqun Ban、Shuo Wu、Kelly McGuire、Ellen Hernandez、Junjun Chen、Qiong Zhao、Manasa Suresh、Benjamin Blass、Usha Viswanathan、John Kulp、Jinhong Chang、Jason Clement、Stephan Menne、Ju-Tao Guo、Yanming Du

  DOI：10.1016/j.bmcl.2021.128518

  日期：2022.2

  protein, the building block of the HBV capsid, plays multiple roles in viral replication, and is an attractive target for development of antiviral agents with a new mechanism of action. In addition to the heteroaryldihydropyrimidines (HAPs), sulfamoylbenzamides (SBAs), dibenzothiazepine derivatives (DBTs), and sulfamoylpyrrolamides (SPAs) that inhibit HBV replication by modulation of viral capsid assembly

  乙型肝炎病毒 (HBV) 核心蛋白是 HBV 衣壳的组成部分，在病毒复制中发挥多种作用，是开发具有新作用机制的抗病毒药物的有吸引力的靶标。除了杂芳基二氢嘧啶 (HAP)、氨磺酰苯甲酰胺 (SBA)、二苯并噻氮衍生物 (DBT) 和氨磺酰吡咯酰胺 (SPA)，它们通过调节病毒衣壳组装来抑制 HBV 复制，目前正在进行慢性乙型肝炎 (CHB) 治疗的临床试验), 其他具有调节 HBV 衣壳组装活性的化学结构也已被探索。在这里，我们描述了我们对源自高通量筛选的苯甲酰胺的持续优化。发现了一种具有缺电子非平面核心结构的新型双环甲酰胺先导化合物。
• Bicyclic Carboxamide with Exocyclic Urea Derivatives as Antivirals for the Treatment of HBV Infection
  申请人：Baruch S. Blumberg Institute

  公开号：US20210371388A1

  公开（公告）日：2021-12-02

  Pharmaceutical compositions of the invention comprise functionalized bicyclic carboxamide useful as pregenomic RNA encapsidation inhibitors, useful for the treatment of Hepatitis B virus (HBV) infection.

  本发明的药物组合物包括作为前基因组RNA包膜抑制剂有用的功能化双环羧酰胺，用于治疗乙型肝炎病毒（HBV）感染。