6-bromo-2-methylquinazoline | 959007-52-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 6-bromo-2-methylquinazoline
• CAS: 959007-52-4
• 化学式: C₉H₇BrN₂
• 分子量: 223.072
• InChiKey: PVVMJVJYMNEHMR-UHFFFAOYSA-N

物化性质

• 沸点：
  244.8±22.0 °C(Predicted)
• 密度：
  1.565±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-bromo-2-methylquinazoline 在 sodium carbonate decahydrate 、 1,1'-bis(diphenylphosphino)ferrocene-palladium(II)dichloride dichloromethane complex 、 二氯双[二叔丁基-(4-二甲基氨基苯基)膦]钯(II) 、 potassium acetate 作用下， 以 1,4-二氧六环 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK)

  摘要：

  The structure-based design and optimization of a novel series of selective PERK inhibitors are described resulting in the identification of 44 as a potent, highly selective, and orally active tool compound suitable for PERK pathway biology exploration both in vitro and in vivo.

  DOI：

  10.1021/jm5017494
• 作为产物：
  描述：

  2-氨基-5-溴苯甲醛 在 氨 作用下， 以 乙醇 为溶剂， 反应 14.0h， 生成 6-bromo-2-methylquinazoline
  参考文献：
  名称：

  WO2024006881A1

  摘要：

  公开号：

文献信息

• Aryl nitrogen-containing bicyclic compounds and methods of use
  申请人：Patel F. Vinod

  公开号：US20070054916A1

  公开（公告）日：2007-03-08

  The present invention comprises a new class of compounds useful for the prophylaxis and treatment of protein kinase mediated diseases, including inflammation, cancer and related conditions. The compounds have a general Formula I wherein A 1 , A 2 , A 3 , B, R 1 , R 2 , R 3 and R 4 are defined herein. Accordingly, the invention also comprises pharmaceutical compositions comprising the compounds of the invention, methods for the prophylaxis and treatment of kinase mediated diseases using the compounds and compositions of the invention, and intermediates and processes useful for the preparation of compounds of the invention.

  这项发明涉及一类新的化合物，用于预防和治疗蛋白激酶介导的疾病，包括炎症、癌症和相关疾病。这些化合物具有一般的化学式I，其中A1、A2、A3、B、R1、R2、R3和R4在此有定义。因此，该发明还涉及包括该发明的化合物的药物组合物，使用该发明的化合物和组合物预防和治疗激酶介导的疾病的方法，以及用于制备该发明的化合物的中间体和方法。
• [EN] QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS<br/>[FR] COMPOSÉ DE QUINUCLIDINE COMME LIGANDS DU RÉCEPTEUR NICOTINIQUE ALPHA-7 DE L'ACÉTYLCHOLINE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2011053292A1

  公开（公告）日：2011-05-05

  The disclosure provides compounds of formula I, including their salts, as well as compositions and methods of using the compounds. The compounds are ligands for the nicotinic 7 receptor and may be useful for the treatment of various disorders of the central nervous system, especially affective and neurodegenerative disorders.

  该披露提供了公式I的化合物，包括它们的盐，以及使用这些化合物的组合物和方法。这些化合物是烟碱7受体的配体，可能对治疗中枢神经系统的各种紊乱，特别是情感和神经退行性疾病有用。
• PYRIDAZINONE COMPOUND OR ITS SALT, AND HERBICIDE CONTAINING IT
  申请人：ISHIHARA SANGYO KAISHA, LTD.

  公开号：US20200172517A1

  公开（公告）日：2020-06-04

  A novel herbicide having remarkable herbicidal activities against undesired plants is provided. A pyridazinone compound represented by the formula (I) or its salt: wherein X is —O—, —S—, —SO—, —SO 2 — or —N(Y)—; Q is monocyclic aryl which may be substituted by Z, monocyclic heteroaryl which may be substituted by Z or the like; Y is a hydrogen atom or alkyl; Z is halogen, alkyl or the like; R 1 is alkyl, alkenyl or the like; R 2 is a hydrogen atom, alkyl or the like; R 3 is halogen, hydroxy or the like; R 4 is a hydrogen atom, alkyl or the like; and n is an integer of from 0 to 4.

  提供了一种对不受欢迎的植物具有显著除草活性的新型除草剂。一种由以下式（I）或其盐表示的吡啶并酮化合物： 其中X为—O—，—S—，—SO—，—SO2—或—N(Y)—；Q为可以由Z取代的单环芳基，可以由Z取代的单环杂芳基或类似物；Y为氢原子或烷基；Z为卤素，烷基或类似物；R1为烷基，烯烃基或类似物；R2为氢原子，烷基或类似物；R3为卤素，羟基或类似物；R4为氢原子，烷基或类似物；n为0到4的整数。
• Novel compounds for treating proliferative diseases
  申请人：Jain Rama

  公开号：US20100121052A1

  公开（公告）日：2010-05-13

  The invention provides novel compounds that are inhibitors of PDK1. Also provided are pharmaceutical compositions including the compounds, and methods of treating proliferative diseases, such as cancers, with the compounds or compositions.

  本发明提供了一些新的化合物，这些化合物是PDK1的抑制剂。同时提供了包括这些化合物的药物组合物，以及使用这些化合物或组合物治疗增生性疾病（如癌症）的方法。
• Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands
  申请人：Bristol-Myers Squibb Company

  公开号：US20130131064A1

  公开（公告）日：2013-05-23

  The disclosure provides compounds of formula I, including their salts, as well as compositions and methods of using the compounds. The compounds are ligands for the nicotinic α7 receptor and may be useful for the treatment of various disorders of the central nervous system, especially affective and neurodegenerative disorders.

  本披露提供了I式化合物及其盐，以及使用这些化合物的组合物和方法。这些化合物是尼古丁α7受体的配体，可能有助于治疗中枢神经系统的各种疾病，尤其是情感和神经退行性疾病。