7-methoxy-1,4-benzodiazepine-2,5-dione | 105763-68-6

• 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: 7-methoxy-1,4-benzodiazepine-2,5-dione
• 英文别名: 7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
• CAS: 105763-68-6
• 化学式: C₁₀H₁₀N₂O₃
• 分子量: 206.201
• InChiKey: FGYXZIYLVGOVJT-UHFFFAOYSA-N

物化性质

• 熔点：
  263-265 °C
• 沸点：
  575.6±50.0 °C(Predicted)
• 密度：
  1.264±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  67.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-methoxy-1,4-benzodiazepine-2,5-dione 在 盐酸 、 lithium aluminium tetrahydride 、 三乙胺 、 sodium nitrite 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 反应 66.25h， 生成
  参考文献：
  名称：

  Synthesis and Structure–Activity Relationships of Tool Compounds Based on WAY163909, a 5-HT_2C Receptor Agonist

  摘要：

  The development of probe molecules that can be used to investigate G protein-coupled receptor (GPCR) pharmacology, trafficking, and relationship with other GPCRs is an important and growing area of research. Here, we report the synthesis of analogues of the known selective serotonin (5-HT) 5-HT2C receptor (5-HT2CR) agonist WAY163909 which were designed to allow for the attachment of a second ligand, signaling or reporter molecules, as well as immobilization agents to the parent molecule with the maintenance of agonist activity. This goal was accomplished by the synthesis of novel molecules in which sites a-d were modified and resulting compounds were analyzed pharmacologically in vitro.

  DOI：

  10.1021/acschemneuro.6b00439
• 作为产物：
  描述：

  2-氨基-5-甲氧基苯甲酸 在 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 32.0h， 生成 7-methoxy-1,4-benzodiazepine-2,5-dione
  参考文献：
  名称：

  Synthesis and Structure–Activity Relationships of Tool Compounds Based on WAY163909, a 5-HT_2C Receptor Agonist

  摘要：

  The development of probe molecules that can be used to investigate G protein-coupled receptor (GPCR) pharmacology, trafficking, and relationship with other GPCRs is an important and growing area of research. Here, we report the synthesis of analogues of the known selective serotonin (5-HT) 5-HT2C receptor (5-HT2CR) agonist WAY163909 which were designed to allow for the attachment of a second ligand, signaling or reporter molecules, as well as immobilization agents to the parent molecule with the maintenance of agonist activity. This goal was accomplished by the synthesis of novel molecules in which sites a-d were modified and resulting compounds were analyzed pharmacologically in vitro.

  DOI：

  10.1021/acschemneuro.6b00439

文献信息

• BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT
  申请人：AgeneBio, Inc.

  公开号：US20180170941A1

  公开（公告）日：2018-06-21

  This invention relates to benzodiazepine derivatives, compositions comprising therapeutically effective amounts of those benzodiazepine derivatives and methods of using those derivatives or compositions in treating cognitive impairment associated with central nervous system (CNS) disorders. In particular, it relates to the use of a α5-containing GABA A receptor agonist (e.g., a α5-containing GABA A receptor positive allosteric modulator) as described herein in treating cognitive impairment associated with central nervous system (CNS) disorders in a subject in need or at risk thereof, including, without limitation, subjects having or at risk for age-related cognitive impairment, Mild Cognitive Impairment (MCI), amnestic MCI (aMCI), Age-Associated Memory Impairment (AAMI), Age Related Cognitive Decline (ARCD), dementia, Alzheimer's Disease(AD), prodromal AD, post traumatic stress disorder (PTSD), schizophrenia, bipolar disorder, amyotrophic lateral sclerosis (ALS), cancer-therapy-related cognitive impairment, mental retardation, Parkinson's disease (PD), autism spectrum disorders, fragile X disorder, Rett syndrome, compulsive behavior, and substance addiction. It also relates to the use of a α5-containing GABA A receptor agonist (e.g., a α5-containing GABA A receptor positive allosteric modulator) as described herein in treating brain cancers (including brain tumors, e.g., medulloblastomas), and cognitive impairment associated therewith.

  这项发明涉及苯二氮卓啉衍生物，包括含有这些苯二氮卓啉衍生物的治疗有效量的组合物，以及使用这些衍生物或组合物治疗与中枢神经系统（CNS）疾病相关的认知障碍的方法。具体而言，它涉及在需要或有风险的受试者中治疗与中枢神经系统（CNS）疾病相关的认知障碍，包括但不限于患有或有风险患有与年龄相关的认知障碍、轻度认知障碍（MCI）、遗忘性MCI（aMCI）、年龄相关记忆障碍（AAMI）、年龄相关认知衰退（ARCD）、痴呆症、阿尔茨海默病（AD）、前驱期AD、创伤后应激障碍（PTSD）、精神分裂症、躁郁症、肌萎缩侧索硬化（ALS）、癌症治疗相关认知障碍、智力障碍、帕金森病（PD）、自闭症谱系障碍、脆性X综合症、瑞特综合症、强迫行为和物质成瘾。它还涉及在治疗与之相关的脑癌（包括脑肿瘤，例如髓母细胞瘤）和认知障碍的情况下，如本文所述使用α5含有的GABAA受体激动剂（例如，α5含有的GABAA受体正向变构调节剂）。
• [1,4]Diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents
  申请人：Wyeth

  公开号：US20040009970A1

  公开（公告）日：2004-01-15

  Compounds of Formula I or a pharmaceutically acceptable salt thereof are provided: 1 where R 1 through R 7 are defined herein. The compounds of Formula I are 5HT2c agonists or partial agonists, and are useful for treating a variety of disorders.

  提供公式I的化合物或其药用可接受的盐：其中R1至R7在此处定义。公式I的化合物是5HT2c受体激动剂或部分激动剂，可用于治疗多种疾病。
• [EN] [1,4]DIAZEPINO[6,7,1-IJ]QUINOLINE DERIVATIVES AS ANTI PSYCHOTIC AND ANTIOBESITY AGENTS<br/>[FR] DERIVES DE [1,4]DIAZEPINO[6,7,1-IJ]QUINOLINE EN TANT QU'AGENTS ANTIPSYCHOTIQUES ET CONTRE L'OBESITE
  申请人：WYETH CORP

  公开号：WO2003091250A1

  公开（公告）日：2003-11-06

  Compounds of formula 1 or a pharmaceutically acceptable salt thereof are provided: I where R1 through R7 are defined herein. The compounds of formula I are 5HT2c agonists or partial agonists, and are useful for treating a variety of disorders.

  提供公式1或其药学上可接受的盐的化合物：I，其中R1到R7在此定义。公式I的化合物是5HT2c激动剂或部分激动剂，可用于治疗各种疾病。
• [1,4]Diazepino[6,7,1-IJ]quinoline derivatives as antipsychotic and antiobesity agents
  申请人：Ramamoorthy Sivaramakrishnan P.

  公开号：US20070004707A1

  公开（公告）日：2007-01-04

  Compounds of Formula I or a pharmaceutically acceptable salt thereof are provided: where R 1 through R 7 are defined herein. The compounds of Formula I are 5HT2c agonists or partial agonists, and are useful for treating a variety of disorders.

  提供公式I的化合物或其药学上可接受的盐：其中R1到R7在此定义。公式I的化合物是5HT2c激动剂或部分激动剂，并且可用于治疗各种疾病。
• [1,4]diazepino[6,7,1-IJ]quinoline derivatives as antipsychotic and antiobesity agents
  申请人：Wyeth LLC

  公开号：US07687620B2

  公开（公告）日：2010-03-30

  Compounds of Formula I or a pharmaceutically acceptable salt thereof are provided: where R1 through R7 are defined herein. The compounds of Formula I are 5HT2c agonists or partial agonists, and are useful for treating a variety of disorders.

  提供公式I或其药学上可接受的盐的化合物：其中R1到R7在此定义。公式I的化合物是5HT2c激动剂或部分激动剂，可用于治疗各种疾病。