4-dimethylaminomethylene-7-methoxy-3,4-dihydro-1H-benzo[b]azepine-2,5-dione | 884196-33-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 4-dimethylaminomethylene-7-methoxy-3,4-dihydro-1H-benzo[b]azepine-2,5-dione
• 英文别名: 4-(dimethylaminomethylidene)-7-methoxy-1H-1-benzazepine-2,5-dione
• CAS: 884196-33-2
• 化学式: C₁₄H₁₆N₂O₃
• 分子量: 260.293
• InChiKey: WOCKCYANMASYAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-dimethylaminomethylene-7-methoxy-3,4-dihydro-1H-benzo[b]azepine-2,5-dione 在 盐酸 、 氯化亚砜 、 palladium hydroxide, 20 wt% on carbon 、 盐酸羟胺 、 potassium tert-butylate 、 氨 、 水 、 氢气 、 potassium carbonate 、 N,N'-羰基二咪唑 、 lithium hydroxide 、 三氯氧磷 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 水 、 乙酸乙酯 、 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 、 异丙醇 为溶剂， 反应 47.33h， 生成 5-Cyclopropyl-3-(15-methoxy-10-methyl-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-1,2,4-oxadiazole
  参考文献：
  名称：

  BENZAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT

  摘要：

  Benzazepine derivatives of Formula (I), compositions comprising therapeutically effective amounts of those benzazepine derivatives and methods of using those derivatives or compositions in treating cognitive impairment associated with central nervous system (CNS) disorders or associated with risk factors for cognitive impairment. In particular, it relates to the use of a αs-containing GABAAR agonist (e.g., a as-containing GABAAR positive allosteric modulator) in treating cognitive impairment associated with central nervous system (CNS) disorders or having a risk factor associated with cognitive impairment 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 as-containing GABAAR agonist (e.g., a as-containing GABAAR positive allosteric modulator) as described herein in treating brain cancers (including brain tumors, e.g., medulloblastomas), and cognitive impairment associated therewith.

  公开号：

  WO2024039886A1
• 作为产物：
  描述：

  methyl 2-(4-ethoxy-4-oxobutanamido)-5-methoxybenzoate 在 双(三甲基硅烷基)氨基钾 作用下， 以 四氢呋喃 、 水 、 二甲基亚砜 为溶剂， 反应 7.0h， 生成 4-dimethylaminomethylene-7-methoxy-3,4-dihydro-1H-benzo[b]azepine-2,5-dione
  参考文献：
  名称：

  BENZAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT

  摘要：

  Benzazepine derivatives of Formula (I), compositions comprising therapeutically effective amounts of those benzazepine derivatives and methods of using those derivatives or compositions in treating cognitive impairment associated with central nervous system (CNS) disorders or associated with risk factors for cognitive impairment. In particular, it relates to the use of a αs-containing GABAAR agonist (e.g., a as-containing GABAAR positive allosteric modulator) in treating cognitive impairment associated with central nervous system (CNS) disorders or having a risk factor associated with cognitive impairment 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 as-containing GABAAR agonist (e.g., a as-containing GABAAR positive allosteric modulator) as described herein in treating brain cancers (including brain tumors, e.g., medulloblastomas), and cognitive impairment associated therewith.

  公开号：

  WO2024039886A1

文献信息

• [EN] LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS<br/>[FR] COMPOSES A BASE DE LACTAME UTILES EN TANT QU'INHIBITEURS DE LA PROTEINE KINASE
  申请人：MILLENNIUM PHARM INC

  公开号：WO2006041773A3

  公开（公告）日：2006-05-18
• BENZAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT
  申请人：[en]AGENEBIO, INC.

  公开号：WO2024039886A1

  公开（公告）日：2024-02-22

  Benzazepine derivatives of Formula (I), compositions comprising therapeutically effective amounts of those benzazepine derivatives and methods of using those derivatives or compositions in treating cognitive impairment associated with central nervous system (CNS) disorders or associated with risk factors for cognitive impairment. In particular, it relates to the use of a αs-containing GABAAR agonist (e.g., a as-containing GABAAR positive allosteric modulator) in treating cognitive impairment associated with central nervous system (CNS) disorders or having a risk factor associated with cognitive impairment 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 as-containing GABAAR agonist (e.g., a as-containing GABAAR positive allosteric modulator) as described herein in treating brain cancers (including brain tumors, e.g., medulloblastomas), and cognitive impairment associated therewith.