5-pyridin-2-yl-4H-pyrazole-3-carboxylic acid | 904813-17-8

• 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-pyridin-2-yl-4H-pyrazole-3-carboxylic acid
• 英文别名: 5-(Pyridin-2-YL)-4H-pyrazole-3-carboxylic acid
• CAS: 904813-17-8
• 化学式: C₉H₇N₃O₂
• 分子量: 189.173
• InChiKey: VPRSLOWVCMJXHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  74.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  manganese(II) chloride tetrahydrate 、 5-pyridin-2-yl-4H-pyrazole-3-carboxylic acid 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 72.0h， 以57%的产率得到{[Mn(Hppca)₂]*H₂O}
  参考文献：
  名称：

  Five metal-organic frameworks based on 5-(pyridine-3-yl)pyrazole-3-carboxylic acid ligand: Syntheses, structures and properties

  摘要：

  Five new polymers based on 5-(pyridine-3-yl)pyrazole-3-carboxylic acid (H(2)ppca), namely, [Cd-2(ppca) (bix)(SO4)](n) (1), {[Cd(HPPca)(2)]center dot H2O}(n) (2), {[Mn(Hppca)(2)]center dot H2O}(n) (3), [Zn(2()ppca)(2)](n) (4) and [Cu(ppca)](n) (5) have been hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction, elemental analyses and IR spectroscopy. Structural analyses reveal that polymer 1 possesses a 2-fold interpenetrating three-dimensional (3D) framework. Polymers 2 and 3 display 4-connected 2D frameworks, while polymer 4 features a (3,3)-connected topology with the Schlafli symbol (4.8.10). 5 exhibits a 2D structure with the Schlafli symbol (4.8(2)). Furthermore, the fluorescence properties of the five polymers are also investigated in the solid state, showing the fluorescence signal changes in comparing with that of free ligand mbbz. Polymer 5 with square pyramid geometry (tau(cu1), 0.069) implies that there is strong antiferromagnetic interactions between two adjacent Cu1C and Cul, and the magnetic interactions are mainly transferred by the bridging N,N-triazole ligands. (C) 2016 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2016.08.001

文献信息

• ANDROGEN RECEPTOR MODULATING COMPOUNDS
  申请人：Wohlfahrt Gerd

  公开号：US20120225867A1

  公开（公告）日：2012-09-06

  The present disclosure relates to compounds of formula (I), and pharmaceutically acceptable salts thereof. The present disclosure also relates to compositions and methods of treating comprising compounds of formula (I), and pharmaceutically acceptable salts thereof.

  本公开涉及式(I)的化合物及其药学上可接受的盐。本公开还涉及包括式(I)的化合物及其药学上可接受的盐的组合物和治疗方法。
• Androgen receptor modulating compounds
  申请人：Wohlfahrt Gerd

  公开号：US08975254B2

  公开（公告）日：2015-03-10

  The present disclosure relates to compounds of formula (I), and pharmaceutically acceptable salts thereof. The present disclosure also relates to compositions and methods of treating comprising compounds of formula (I), and pharmaceutically acceptable salts thereof.

  本公开涉及式(I)的化合物及其药学上可接受的盐。本公开还涉及包含式(I)的化合物及其药学上可接受的盐的组合物和治疗方法。
• US8975254B2
  申请人：——

  公开号：US8975254B2

  公开（公告）日：2015-03-10
• US9657003B2
  申请人：——

  公开号：US9657003B2

  公开（公告）日：2017-05-23
• [EN] ANDROGEN RECEPTOR MODULATING COMPOUNDS<br/>[FR] COMPOSÉS MODULATEURS DE RÉCEPTEURS DES ANDROGÈNES
  申请人：ORION CORP

  公开号：WO2011051540A1

  公开（公告）日：2011-05-05

  Compounds of formula (I) wherein R1 to R16, A. B and E are as defined in the claims and pharmaceutically acceptable salts and esters thereof, are disclosed. The compounds of formula (I) possess utility as tissue-selective androgen receptor modulators (SARM) and are particularly useful as medicaments in the treatment of prostate cancer and other AR dependent conditions and diseases where AR antagonism is desired.