5-Methyl-2-(4-methylpyrazol-1-yl)pyridine | 1469902-37-1

• 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
• 英文名称: 5-Methyl-2-(4-methylpyrazol-1-yl)pyridine
• 英文别名: 5-methyl-2-(4-methylpyrazol-1-yl)pyridine
• CAS: 1469902-37-1
• 化学式: C₁₀H₁₁N₃
• 分子量: 173.217
• InChiKey: FPHIFORXYOXLOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  六氟磷酸钾 、 cobalt(II) chloride hexahydrate 、 5-Methyl-2-(4-methylpyrazol-1-yl)pyridine 以 甲醇 、 水 为溶剂， 反应 2.0h， 以88%的产率得到
  参考文献：
  名称：

  Redox properties of cobalt(II) complexes with azole-pyridines

  摘要：

  We report nine new homoleptic octahedral cobalt(II) complexes [Co((NN)-N-boolean AND)(3)](2+) and [Co((NNN)-N-boolean AND-N-boolean AND)(2)](2+) with bidentate or tridentate azole-pyridine ligands (where azole is 1,2,4-triazole or a substituted pyrazole). The complexes are air-and moisture-stable solids of pale pink to pale brown color that exhibit quasireversible redox processes in polar organic solvents. By changing azole heterocycle and by adding methyl groups, we tune redox potentials of the complexes from 0.05 to 0.5 V for the Co(III/II) couple (its cyclic voltammogram depends on the electrode history) and from -1.08 to -1.57 V for the Co(II/I) couple to give a redox gap of 1.37-1.82 V. Replacing a pyrazole with electron-deficient 1,2,4-triazole strongly positively shifts redox potentials of the complexes; in contrast, adding electron-donor methyl groups shifts the potentials negatively. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.07.057
• 作为产物：
  描述：

  4-甲基吡唑 、 2-氟-5-甲基吡啶 在 potassium tert-butylate 作用下， 以 二甲基亚砜 为溶剂， 反应 24.17h， 以81%的产率得到5-Methyl-2-(4-methylpyrazol-1-yl)pyridine
  参考文献：
  名称：

  Redox properties of cobalt(II) complexes with azole-pyridines

  摘要：

  We report nine new homoleptic octahedral cobalt(II) complexes [Co((NN)-N-boolean AND)(3)](2+) and [Co((NNN)-N-boolean AND-N-boolean AND)(2)](2+) with bidentate or tridentate azole-pyridine ligands (where azole is 1,2,4-triazole or a substituted pyrazole). The complexes are air-and moisture-stable solids of pale pink to pale brown color that exhibit quasireversible redox processes in polar organic solvents. By changing azole heterocycle and by adding methyl groups, we tune redox potentials of the complexes from 0.05 to 0.5 V for the Co(III/II) couple (its cyclic voltammogram depends on the electrode history) and from -1.08 to -1.57 V for the Co(II/I) couple to give a redox gap of 1.37-1.82 V. Replacing a pyrazole with electron-deficient 1,2,4-triazole strongly positively shifts redox potentials of the complexes; in contrast, adding electron-donor methyl groups shifts the potentials negatively. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.07.057

文献信息

• THERAPEUTIC COMPOUNDS AND USES THEREOF
  申请人：Genentech, Inc.

  公开号：US20150065522A1

  公开（公告）日：2015-03-05

  The present invention relates to compounds formula (I): and to salts thereof, wherein R 1 -R 4 and A have any of the values defined in the specification, and compositions and uses thereof. The compounds are useful as inhibitors of histone demethylases, such as KDM5. Also included are pharmaceutically acceptable compositions comprising the compounds of the present invention and methods of using said compositions in the treatment of various disorders.

  本发明涉及化合物的化学式（I）及其盐，其中R1-R4和A具有规范中定义的任何值，以及这些化合物的组合物和用途。这些化合物可用作组蛋白去甲基化酶的抑制剂，如KDM5。还包括包含本发明化合物的药用可接受组合物，以及使用这些组合物治疗各种疾病的方法。
• N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors
  申请人：Kalvista Pharmaceuticals Limited

  公开号：US10781181B2

  公开（公告）日：2020-09-22

  The present invention provides compounds of formula (I): (I) compositions comprising such compounds; the use of such compounds in therapy (for example in the treatment or prevention of a disease or condition in which plasma kallikrein activity is implicated); and methods of treating patients with such compounds; wherein R5, R6, R7, A, B, U, D, E, W, X, Y and Z are as defined herein.

  本发明提供了式(I)化合物：(I)包含此类化合物的组合物；此类化合物在治疗中的用途（例如在治疗或预防涉及血浆卡利克瑞因活性的疾病或病症中的用途）；以及用此类化合物治疗患者的方法；其中 R5、R6、R7、A、B、U、D、E、W、X、Y 和 Z 如本文所定义。
• Prolylhydroxylase inhibitors and methods of use
  申请人：Cornell University

  公开号：EP2891649B1

  公开（公告）日：2018-04-11
• N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS
  申请人：KALVISTA PHARMACEUTICALS LIMITED

  公开号：US20170305863A1

  公开（公告）日：2017-10-26

  The present invention provides compounds of formula (I): (I) compositions comprising such compounds; the use of such compounds in therapy (for example in the treatment or prevention of a disease or condition in which plasma kallikrein activity is implicated); and methods of treating patients with such compounds; wherein R5, R6, R7, A, B, U, D, E, W, X, Y and Z are as defined herein.
• US9505767B2
  申请人：——

  公开号：US9505767B2

  公开（公告）日：2016-11-29