3-(4,4,5,5-四甲基-1,3,2-二氧硼烷)-1H-吲唑 | 1607787-21-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 中文名称: 3-(4,4,5,5-四甲基-1,3,2-二氧硼烷)-1H-吲唑
• 英文名称: 1H-indazol-3-ylboronic acid pinacol ester
• 英文别名: 2H-indazole-3-yl boronic acid pinacol ester；3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-indazole；3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole
• CAS: 1607787-21-2；937366-55-7
• 化学式: C₁₃H₁₇BN₂O₂
• 分子量: 244.101
• InChiKey: UWAAHKNOJPKHNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.86
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  47.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(4,4,5,5-四甲基-1,3,2-二氧硼烷)-1H-吲唑 在 四(三苯基膦)钯 作用下， 以 乙二醇二甲醚 、 乙二醇甲醚 为溶剂， 生成 5-chloro-N-(4-(2-(dimethylamino)ethyl)phenyl)-4-(1H-indazol-3-yl)pyrimidin-2-amine
  参考文献：
  名称：

  Synthesis and biological study of 2-amino-4-aryl-5-chloropyrimidine analogues as inhibitors of VEGFR-2 and cyclin dependent kinase 1 (CDK1)

  摘要：

  The series of 2-amiiio-4-aryl-5-chloropyrimidines was discovered to be potent for both VEGFR-2 and CDK1. Described here are the chemistry for analogue synthesis, SAR study, and its kinase selectivity prolifing. The full rat PK data and in vivo efficacy study are also included. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.086

文献信息

• Organometallic compounds and organic light emitting devices including the same
  申请人：Samsung Display Co., Ltd.

  公开号：US09595683B2

  公开（公告）日：2017-03-14

  Organometallic compounds and organic light-emitting devices including the same are provided. Each subject organometallic compound may be a transition metal complex comprising up to seven organic ligands including one to three ligands which are derivatives of one of 2-(pyrazole-3-yl)pyrimidine and 2-(1,2,4-triazol-3-yl)pyrimidine. Organic light-emitting devices including the subject organometallic compounds show lower driving voltages, higher luminences, higher efficiencies and better lifetime characteristics versus organic light-emitting devices including comparative organometallic complexes.

  提供了包括有机金属化合物和含有这些金属化合物的有机发光器件。每种有机金属化合物可能是一个过渡金属配合物，包括最多七个有机配体，其中包括一个到三个配体是2-(吡唑-3-基)嘧啶和2-(1,2,4-三唑-3-基)嘧啶之一的衍生物。包括这些有机金属化合物的有机发光器件显示出比包括比较性有机金属配合物的有机发光器件更低的驱动电压、更高的亮度、更高的效率和更好的寿命特性。
• PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE
  申请人：Dotson Jennafer

  公开号：US20110172216A1

  公开（公告）日：2011-07-14

  Compounds of Formula I, and including stereoisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting lipid kinases including p110 alpha and other isoforms of PI3K, and for treating disorders such as cancer mediated by lipid kinases. Methods of using compounds of Formula I for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  具有I式化合物的立体异构体、几何异构体、互变异构体、溶剂化物、代谢物和药物可接受的盐，对于抑制脂质激酶包括p110α和其他PI3K同工酶以及治疗由脂质激酶介导的癌症等疾病是有用的。公开了使用I式化合物的方法，用于哺乳动物细胞中的体外、原位和体内诊断、预防或治疗这种疾病，或相关的病理条件。
• Pyrazolopyrimidine PI3K inhibitor compounds and methods of use
  申请人：Dotson Jennafer

  公开号：US08987280B2

  公开（公告）日：2015-03-24

  Compounds of Formula I, and including stereoisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting lipid kinases including p110 alpha and other isoforms of PI3K, and for treating disorders such as cancer mediated by lipid kinases. Methods of using compounds of Formula I for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  式I的化合物，包括立体异构体、几何异构体、互变异构体、溶剂化物、代谢物和药学上可接受的盐，对于抑制脂质激酶包括p110 alpha和PI3K的其他同系物，并用于治疗由脂质激酶介导的癌症等疾病具有用处。揭示了使用式I的化合物进行哺乳动物细胞中的体外、体内和原位诊断、预防或治疗此类疾病或相关病理条件的方法。
• Organometallic compound and organic light-emitting device including the same
  申请人：Samsung Display Co., Ltd.

  公开号：EP2706064B1

  公开（公告）日：2016-11-09
• Synthesis and biological study of 2-amino-4-aryl-5-chloropyrimidine analogues as inhibitors of VEGFR-2 and cyclin dependent kinase 1 (CDK1)
  作者：Shenlin Huang、Ronghua Li、Peter J. Connolly、Stuart Emanuel、Angel Fuentes-Pesquera、Mary Adams、Robert H. Gruninger、Jabed Seraj、Steven A. Middleton、Jeremy M. Davis、David F.C. Moffat

  DOI：10.1016/j.bmcl.2007.01.086

  日期：2007.4

  The series of 2-amiiio-4-aryl-5-chloropyrimidines was discovered to be potent for both VEGFR-2 and CDK1. Described here are the chemistry for analogue synthesis, SAR study, and its kinase selectivity prolifing. The full rat PK data and in vivo efficacy study are also included. (c) 2007 Elsevier Ltd. All rights reserved.