5-bromo-2-(2-hydroxy-2-methylpropyl)isoindolin-1-one | 864867-33-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 5-bromo-2-(2-hydroxy-2-methylpropyl)isoindolin-1-one
• 英文别名: 5-bromo-2-(2-hydroxy-2-methyl-propyl)-1-oxo-isoindoline；5-Bromo-2-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1H-isoindol-1-one；5-bromo-2-(2-hydroxy-2-methylpropyl)-3H-isoindol-1-one
• CAS: 864867-33-4
• 化学式: C₁₂H₁₄BrNO₂
• 分子量: 284.153
• InChiKey: DBHQCCPAQBYKBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-bromo-2-(2-hydroxy-2-methylpropyl)isoindolin-1-one 在 四(三苯基膦)钯 sodium hydride 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 2.0h， 生成 5-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-hydroxy-2-methylpropyl)-3-methyl-3H-isoindol-1-one
  参考文献：
  名称：

  EP1726585

  摘要：

  公开号：
• 作为产物：
  描述：

  1-氨基-2-甲基-2-丙醇 、 4-溴-2-溴甲基苯甲酸甲酯 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 4.0h， 生成 5-bromo-2-(2-hydroxy-2-methylpropyl)isoindolin-1-one
  参考文献：
  名称：

  [EN] THIOPHENE COMPOUND AND APPLICATION THEREOF
  [FR] COMPOSÉ THIOPHÈNE ET SON UTILISATION
  [ZH] 噻吩类化合物及其应用

  摘要：

  涉及一类噻吩类化合物及其应用。具体涉及式(Ⅱ)所示化合物及其药学上可接受的盐，其中，L1为-C(＝O)-或-C(＝O)-NH-；R1为R1a或aa; 环A为 bb、cc; R1a为被1、2或3个Ra取代的C1-3烷基；R3分别独立地为H、卤素或C1-3烷氧基；式(Ⅱ)所示化合物及其药学上可接受的盐能较好的抑制LSD1的活性；还对NCI-H1417细胞增殖抑制活性明显，并且具有良好的药代动力学性质(包括良好的口服生物利用度，口服暴露量，半衰期和清除率等)。

  公开号：

  WO2022188709A1

文献信息

• Dairyl-substituted five-membered heterocycle derivative
  申请人：Hirata Yukari

  公开号：US20070173507A1

  公开（公告）日：2007-07-26

  The present invention provides the compounds represented by formula (I): (I) or pharmaceutical salts thereof, wherein: X 1 represents oxygen atoms and the like, X 2 represents nitrogen atoms and the like, X 3 represents nitrogen atoms and the like, X 4 represents nitrogen atoms and the like, R 1 represents formula (II-1): wherein X 5 represents sulfur atoms and the like, A 1 represents carbon atoms and the like, A 2 represents nitrogen atoms and the like and A ring represents phenyl group and the like, having mGluR1 inhibiting effect, and being usefull for preventing or treating convulsion, acute pain, inflammatory pain, chronic pain, brain disorder such as cerebral infarction or transient ischemick attack, psychotic disorder such as schizophrenia, anxiety, drug dependence, Parkinson's disease, or gastrointestinal disorder.

  本发明提供了由公式（I）所表示的化合物：（I）或其药物盐，其中：X1代表氧原子等，X2代表氮原子等，X3代表氮原子等，X4代表氮原子等，R1代表公式（II-1）：其中X5代表硫原子等，A1代表碳原子等，A2代表氮原子等，A环代表苯基等，具有mGluR1抑制作用，适用于预防或治疗惊厥、急性疼痛、炎症性疼痛、慢性疼痛、脑部疾病如脑梗死或短暂性脑缺血发作、精神疾病如精神分裂症、焦虑、药物依赖、帕金森病或胃肠道疾病。
• DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE
  申请人：Hirata Yukari

  公开号：US20110160208A1

  公开（公告）日：2011-06-30

  The present invention provides the compounds represented by formula (I): or pharmaceutical salts thereof, wherein: X 1 represents oxygen atoms and the like, X 2 represents nitrogen atoms and the like, X 3 represents nitrogen atoms and the like, X 4 represents nitrogen atoms and the like, R 1 represents formula (II-1): wherein X 5 represents sulfur atoms and the like, A 1 represents carbon atoms and the like, A 2 represents nitrogen atoms and the like and A ring represents phenyl group and the like, having mGluR1 inhibiting effect, and being useful for preventing or treating convulsion, acute pain, inflammatory pain, chronic pain, brain disorder such as cerebral infarction or transient ischemick attack, psychotic disorder such as schizophrenia, anxiety, drug dependence, Parkinson's disease, or gastrointestinal disorder.

  本发明提供了以下式子(I)所代表的化合物或其药物盐，其中：X1代表氧原子等，X2代表氮原子等，X3代表氮原子等，X4代表氮原子等，R1代表式子(II-1)：其中X5代表硫原子等，A1代表碳原子等，A2代表氮原子等，环A代表苯基等，具有mGluR1抑制作用，并且对于预防或治疗惊厥、急性疼痛、炎症性疼痛、慢性疼痛、脑部疾病如脑梗死或短暂性缺血性发作、精神障碍如精神分裂症、焦虑、药物依赖、帕金森病或胃肠疾病有用。
• Diaryl-substituted five-membered heterocycle derivative
  申请人：Banyu Pharmaceutical Co., Ltd.

  公开号：US07902369B2

  公开（公告）日：2011-03-08

  The present invention provides the compounds represented by formula (I): (I) or pharmaceutical salts thereof, wherein: X1 represents oxygen atoms and the like, X2 represents nitrogen atoms and the like, X3 represents nitrogen atoms and the like, X4 represents nitrogen atoms and the like, R1 represents formula (II-1): wherein X5 represents sulfur atoms and the like, A1 represents carbon atoms and the like, A2 represents nitrogen atoms and the like and A ring represents phenyl group and the like, having mGluR1 inhibiting effect, and being usefull for preventing or treating convulsion, acute pain, inflammatory pain, chronic pain, brain disorder such as cerebral infarction or transient ischemick attack, psychotic disorder such as schizophrenia, anxiety, drug dependence, Parkinson's disease, or gastrointestinal disorder.

  本发明提供了由式(I)表示的化合物或其药物盐，其中：X1代表氧原子等，X2代表氮原子等，X3代表氮原子等，X4代表氮原子等，R1表示公式(II-1)：其中X5代表硫原子等，A1代表碳原子等，A2代表氮原子等，A环表示苯基等，具有mGluR1抑制作用，并且对于预防或治疗惊厥、急性疼痛、炎症性疼痛、慢性疼痛、脑疾病如脑梗塞或暂时性缺血性发作、精神障碍如精神分裂症、焦虑、药物依赖、帕金森病或胃肠疾病具有用处。
• [EN] 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1<br/>[FR] 2-AMINOQUINAZOLINE 7-PHÉNYL SUBSTITUÉE, INHIBITEURS DE HPK1
  申请人：MERCK SHARP & DOHME

  公开号：WO2022098806A1

  公开（公告）日：2022-05-12

  Compounds of the following formula (I); or the pharmaceutically acceptable salts thereof, are inhibitors of haematopoietic progenitor kinase 1 (HPK1) useful in the treatment of diseases or disorders associated with HPK1. Also disclosed herein are uses of these compounds in the potential treatment or prevention of an HPK1-associated disease or disorder. Also disclosed herein are compositions comprising one or more of the compounds. Further disclosed herein are uses of these compositions in the potential prevention or treatment of an HPK1-associated disease or disorder.

  以下公式（I）的化合物或其药学上可接受的盐是血液祖细胞激酶1（HPK1）的抑制剂，可用于治疗与HPK1相关的疾病或紊乱。本文还披露了这些化合物在潜在的治疗或预防HPK1相关疾病或紊乱中的用途。本文还披露了包含一种或多种化合物的组合物。本文还披露了这些组合物在潜在的预防或治疗HPK1相关疾病或紊乱中的用途。
• US7902369B2
  申请人：——

  公开号：US7902369B2

  公开（公告）日：2011-03-08