3-(6-bromo-5-fluoro-1-methyl-1H-indol-3-yl)-4-(7-methoxy-benzofuran-3-yl)-pyrrole-2,5-dione | 1034894-71-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3-(6-bromo-5-fluoro-1-methyl-1H-indol-3-yl)-4-(7-methoxy-benzofuran-3-yl)-pyrrole-2,5-dione
• 英文别名: 3-(6-Bromo-5-fluoro-1-methylindol-3-yl)-4-(7-methoxy-1-benzofuran-3-yl)pyrrole-2,5-dione
• CAS: 1034894-71-7
• 化学式: C₂₂H₁₄BrFN₂O₄
• 分子量: 469.267
• InChiKey: PEOMRLAFTCHWHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  73.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-(7-methoxybenzofuran-3-yl)acetamide 、 (6-bromo-5-fluoro-1-methyl-1H-indol-3-yl)-oxo-acetic acid ethyl ester 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 以49%的产率得到3-(6-bromo-5-fluoro-1-methyl-1H-indol-3-yl)-4-(7-methoxy-benzofuran-3-yl)-pyrrole-2,5-dione
  参考文献：
  名称：

  WO2008/77138

  摘要：

  公开号：

文献信息

• Benzofuran-3-yl(indol-3-yl) Maleimides as Potent GSK3 Inhibitors
  申请人：KOZIKOWSKI Alan P.

  公开号：US20100004308A1

  公开（公告）日：2010-01-07

  Compounds of formula: and pharmaceutically acceptable salts, esters and solvates thereof, where variables are defined in the specification, useful generally as inhibitors of protein kinases and particularly useful for inhibition of GSK-3. Pharmaceutically compositions and medicaments containing a compound of the invention are provided. The invention provides methods of treatment of protein kinase-related disease, disorders or conditions. The invention provides methods of treatment of GSK-3-related diseases, disorders or conditions. More specifically, methods of treatment of bipolar disorder, including mania, schizophrenia, stroke, epilepsy, motor neuron disease, cranial or spinal trauma, neurodegenerative disorders, including multiple sclerosis (MS), Alzheimer's disease, Fragile X syndrome, autism, Huntington's disease, Parkinson's disease, amylotrophic lateral sclerosis (ALS), AIDS-associated dementia, diabetes, particularly type II diabetes, cardiomycete hypertrophy, reperfusion/ischemia, cancer, particularly colorectal cancer, pancreatic cancer, allergies and/or asthma and hair loss or baldness.

  该化合物的公式：以及其药学上可接受的盐、酯和溶剂化物，其中变量在说明书中定义，通常用作蛋白激酶抑制剂，特别是用于抑制GSK-3。提供了含有发明化合物的药学组合物和药物。本发明提供了治疗蛋白激酶相关疾病、紊乱或病况的方法。本发明提供了治疗GSK-3相关疾病、紊乱或病况的方法。更具体地，本发明提供了治疗双相情感障碍、包括躁狂、精神分裂症、中风、癫痫、运动神经元疾病、头部或脊柱创伤、神经退行性疾病、包括多发性硬化症（MS）、阿尔茨海默病、脆性X综合征、自闭症、亨廷顿病、帕金森病、肌萎缩性脊髓侧索硬化症（ALS）、艾滋病相关痴呆、糖尿病，特别是II型糖尿病、心肌肥厚、复灌/缺血、癌症，特别是结肠癌、胰腺癌、过敏和/或哮喘以及脱发或秃发的方法。
• 3-BENZOFURANYL-4-INDOLYL MALEIMIDES AS POTENT GSK3 INHIBITORS FOR NEUROGENERATIVE DISORDERS
  申请人：The Board of Trustees of the University of Illinois

  公开号：EP2125683A1

  公开（公告）日：2009-12-02
• 3-BENZOFURANYL-4-INDOLYL-MALEIMIDES AS POTENT GSK-3 INHIBITORS FOR NEURODEGENERATIVE DISORDERS
  申请人：The Board of Trustees of the University of Illinois

  公开号：EP2125683B1

  公开（公告）日：2013-10-23
• US8207216B2
  申请人：——

  公开号：US8207216B2

  公开（公告）日：2012-06-26
• [EN] 3-BENZOFURANYL-4-INDOLYL MALEIMIDES AS POTENT GSK3 INHIBITORS FOR NEUROGENERATIVE DISORDERS<br/>[FR] 3-BENZOFURANYL-4-INDOLYL MALÉIMIDES EN TANT QU'INHIBITEURS DE GSK3 PUISSANTS POUR TROUBLES NEURODÉGÉNÉRATIFS
  申请人：UNIV ILLINOIS

  公开号：WO2008077138A1

  公开（公告）日：2008-06-26

  [EN] Compounds of formula (I): and pharmaceutically acceptable salts, esters and solvates thereof, where variables are defined in the specification, useful generally as inhibitors of protein kinases and particularly useful for inhibition of GSK-3. Pharmaceutically compositions and medicaments containing a compound of the invention are provided. The invention provides methods of treatment of protein kinase-related disease, disorders or conditions. The invention provides methods of treatment of GSK-3-related diseases, disorders or conditions. More specifically, methods of treatment of bipolar disorder, including mania, schizophrenia, stroke, epilepsy, motor neuron disease, cranial or spinal trauma, neurodegenerative disorders, including multiple sclerosis (MS), Alzheimer's disease, Fragile X syndrome, autism, Huntington's disease, Parkinson's
  [FR] L'invention concerne des composés représentés par la formule (I) et des sels, esters et solvates pharmaceutiquement acceptables de ceux-ci, les variables étant définies dans le mémoire, généralement utiles comme inhibiteurs de protéine kinases et particulièrement utiles pour une inhibition de GSK-3. Des compositions pharmaceutiques et des médicaments contenant un composé de l'invention sont proposés. L'invention propose des procédés de traitement de maladies, troubles ou affections liés aux protéines kinases. L'invention propose des procédés de traitement de maladies, troubles ou affections liés au GSK-3. Plus spécifiquement, des procédés de traitement du trouble bipolaire, comprenant la manie, la schizophrénie, un accident vasculaire cérébral, l'épilepsie, la sclérose latérale amyotrophique, un traumatisme crânien ou spinal, des maladies neurodégnératives, comprenant la sclérose en plaques (MS), la maladie d'Alzheimer, le syndrome du X fragile, l'autisme, la maladie de Huntington et la maladie de Parkinson.