2-乙基-4-吡啶基-硼酸 | 1189545-99-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2-乙基-4-吡啶基-硼酸
• 中文别名: 2-乙基-4-吡啶硼酸
• 英文名称: (2-ethylpyridin-4-yl)boronic acid
• CAS: 1189545-99-0
• 化学式: C₇H₁₀BNO₂
• mdl: MFCD07374971
• 分子量: 150.973
• InChiKey: CBMFWKBCFLYDDG-UHFFFAOYSA-N

物化性质

• 溶解度：
  可溶于乙酸乙酯（轻微，加热），甲醇（轻微），水（轻微）

计算性质

• 辛醇/水分配系数(LogP)：
  1.13
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  53.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-乙基-4-吡啶基-硼酸 、 N-[5-(4-chloro-6-ethyl-pyrimidin-5-ylethynyl)-2-methyl-pyridin-3-yl]-methanesulfonamide 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 sodium carbonate 作用下， 以 N-甲基吡咯烷酮 、 水 为溶剂， 反应 0.25h， 以64%的产率得到N-{5-[4-ethyl-6-(2-ethyl-pyridin-4-yl)-pyrimidin-5-ylethynyl]-2-methyl-pyridin-3-yl}-methanesulfonamide
  参考文献：
  名称：

  NEW 5-ALKYNYL-PYRIDINES

  摘要：

  通用式（I）的5-炔基吡啶是PI3Kα活性抑制剂，可用于治疗由细胞过度或异常增殖引起的疾病，如癌症。

  公开号：

  US20130023533A1
• 作为产物：
  描述：

  4-溴-2-乙基吡啶 、 联硼酸频那醇酯 在 bis-triphenylphosphine-palladium(II) chloride 、 potassium acetate 作用下， 以 1,4-二氧六环 为溶剂， 反应 12.0h， 以50 mg的产率得到2-乙基-4-吡啶基-硼酸
  参考文献：
  名称：

  WO2021007477A5

  摘要：

  公开号：

  WO2021007477A5

文献信息

• SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS
  申请人：GLAXOSMITHKLINE LLC

  公开号：US20150152108A1

  公开（公告）日：2015-06-04

  The present invention relates to novel substituted bridged urea compounds, corresponding related analogs, pharmaceutical compositions and methods of use thereof. Sirtuin-modulating compounds of the present invention may be used for increasing the lifespan of a cell, and treating and/or preventing a wide variety of diseases and disorders, which include, but are not limited to, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity. The present invention also related to compositions comprising a sirtuin-modulating compound in combination with another therapeutic agent.

  本发明涉及新型取代桥式脲化合物，相应的相关类似物，药物组合物以及其使用方法。本发明的抑制素调节化合物可用于延长细胞寿命，并治疗和/或预防各种疾病和疾病，包括但不限于与衰老或压力、糖尿病、肥胖、神经退行性疾病、心血管疾病、血液凝块疾病、炎症、癌症和/或潮红有关的疾病或疾病，以及那些会受益于增加线粒体活性的疾病或疾病。本发明还涉及包含抑制素调节化合物与另一治疗剂组合的组合物。
• [EN] SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS<br/>[FR] ANALOGUES D'URÉE PONTÉS SUBSTITUÉS EN TANT QUE MODULATEURS DE SIRTUINE
  申请人：GLAXOSMITHKLINE IP NO 2 LTD

  公开号：WO2016079709A1

  公开（公告）日：2016-05-26

  The present invention relates to novel substituted bridged urea analog compounds of Formula (I) or pharmaceutically acceptable salts thereof, corresponding pharmaceutical compositions, processes for making and use of such compounds, alone or in combination with other therapeutic agents, as Sirtuin Modulators useful for increasing lifespan of a cell, and for use in treating and/or preventing a wide variety of diseases and disorders, which include, but are not limited to, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity.

  本发明涉及一种新型的取代桥式脲类似物化合物，其化学式为（I）或其药学上可接受的盐，相应的药物组合物，制备这种化合物的方法以及单独使用或与其他治疗剂联合使用的这些化合物作为Sirtuin调节剂，可用于增加细胞寿命，并用于治疗和/或预防各种疾病和紊乱，包括但不限于与衰老或压力、糖尿病、肥胖、神经退行性疾病、心血管疾病、血液凝块紊乱、炎症、癌症和/或潮红有关的疾病或紊乱，以及那些会受益于增加线粒体活性的疾病或紊乱。
• [EN] NEW 5-ALKYNYL-PYRIDINES<br/>[FR] NOUVELLES 5-ALKYNYL-PYRIDINES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2012101184A1

  公开（公告）日：2012-08-02

  This invention relates to 5-alkynyl-pyridine of general formula (I) their use as inhibitors of the activity of PI3Kalpha, pharmaceutical compositions containing them, and their use as a medicaments for the treatment and/or prevention of diseases characterized by excessive or abnormal cell proliferation and associated conditions such as cancer. The groups R1 to R6 and n have the meanings given in the claims and in the specification.

  本发明涉及一般式（I）的5-炔基吡啶，其用作PI3Kα活性抑制剂，含有它们的药物组合物，以及它们用作治疗和/或预防由细胞过度或异常增殖引起的疾病及相关症状（如癌症）的药物。其中，基团R1至R6和n的含义如索赔和说明书中所述。
• Discovery and development of benzo-[1,2,4]-triazolo-[1,4]-oxazepine GPR142 agonists for the treatment of diabetes
  作者：Jonathan E. Wilson、Ravi Kurukulasuriya、Christopher Sinz、Matthew Lombardo、Kate Bender、Dann Parker、Edward C. Sherer、Melissa Costa、Karen Dingley、Xiaofang Li、Stanley Mitelman、Sharon Tong、Randal Bugianesi、Anka Ehrhardt、Birgit Priest、Kevin Ratliff、Feroze Ujjainwalla、Ravi Nargund、William K. Hagmann、Scott Edmondson

  DOI：10.1016/j.bmcl.2016.04.018

  日期：2016.6

  3-phenoxy-benzo-[1,2,4]-triazolo-[1,4]-oxazepine 47, a potent GPR142 agonist with an off-target and PK profile suitable for in vivo studies. This compound and a related analogue 40 were shown to be active in mouse oral glucose tolerance tests (OGTTs). Furthermore, a GPR142 knock-out mouse OGTT study with compound 40 provides evidence that its glucose-lowering effect is mediated by GPR142.

  描述了新颖的苯并-[1,2,4]-三唑-[1,4]-奥氮平GPR142激动剂系列。该系列旨在解决一类N-芳基-苯并-[1,4]-氧杂氮平-4-羧酰胺（从高-用于GPR142激动剂的默克化合物系列的通量筛选。这项工作导致了3-苯氧基-苯并-[1,2,4]-三唑并-[1,4]-奥氮平47的发现，这是一种强效的GPR142激动剂，具有脱靶和PK谱，适用于体内研究。该化合物和相关的类似物40在小鼠口服葡萄糖耐量测试（OGTT）中显示有活性。此外，用化合物40进行的GPR142敲除小鼠OGTT研究提供了证据，表明其降糖作用是由GPR142介导的。
• 5-ALKYNYL-PYRIDINES
  申请人：Wunberg Tobias

  公开号：US20110098275A1

  公开（公告）日：2011-04-28

  The present invention encompasses compounds of general formula (1) wherein R 1 to R 4 , m and n are defined as in the specification, which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, and the use thereof for preparing a medicament having the above-mentioned properties.

  本发明涵盖了通式（1）中定义的化合物，其中R1至R4，m和n如规范中所定义，适用于治疗由过度或异常细胞增殖特征的疾病，并且可以用于制备具有上述特性的药物。