N'-amino-1-[(2-methylpyrimidin-5-yl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide | 1344670-08-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并吡啶类
• 英文名称: N'-amino-1-[(2-methylpyrimidin-5-yl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide
• CAS: 1344670-08-1
• 化学式: C₁₃H₁₄N₈
• 分子量: 282.308
• InChiKey: BKOXTJGOQXJUOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N'-amino-1-[(2-methylpyrimidin-5-yl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide 、 三氟乙酸酐 生成 C₁₅H₁₁F₃N₈
  参考文献：
  名称：

  Acidic triazoles as soluble guanylate cyclase stimulators

  摘要：

  A series of acidic triazoles with activity as soluble guanylate cyclase stimulators is described. Incorporation of the CF(3) triazole improved the overall physicochemical and drug-like properties of the molecule and is exemplified by compound 25. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.071
• 作为产物：
  描述：

  1-((2-methylpyrimidin-5-yl)methyl)-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile 在 一水合肼 作用下， 以 甲醇 为溶剂， 生成 N'-amino-1-[(2-methylpyrimidin-5-yl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide
  参考文献：
  名称：

  Acidic triazoles as soluble guanylate cyclase stimulators

  摘要：

  A series of acidic triazoles with activity as soluble guanylate cyclase stimulators is described. Incorporation of the CF(3) triazole improved the overall physicochemical and drug-like properties of the molecule and is exemplified by compound 25. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.071

文献信息

• TREATMENT OF CNS DISEASES WITH sGC STIMULATORS
  申请人：Cyclerion Therapeutics, Inc.

  公开号：US20190343813A1

  公开（公告）日：2019-11-14

  The present disclosure relates to the use of stimulators of soluble guanylate cyclase (sGC), pharmaceutically acceptable salts thereof and pharmaceutical formulations or dosage forms comprising them, alone or in combination with one or more additional agents, for the treatment of various CNS diseases, wherein an increase in sGC stimulation, or an increase in the concentration of nitric oxide (NO), or cyclic guanosine 3′,5′-monophosphate (cGMP) or both, or an upregulation of the NO pathway is desirable.
• [EN] TREATMENT OF CNS DISEASES WITH SGC STIMULATORS<br/>[FR] TRAITEMENT DE MALADIES DU SNC AU MOYEN DE STIMULATEURS DE GCS
  申请人：IRONWOOD PHARMACEUTICALS INC

  公开号：WO2018089328A1

  公开（公告）日：2018-05-17

  The present disclosure relates to the use of stimulators of soluble guanylate cyclase (sGC), pharmaceutically acceptable salts thereof and pharmaceutical formulations or dosage forms comprising them, alone or in combination with one or more additional agents, for the treatment of various CNS diseases, wherein an increase in sGC stimulation, or an increase in the concentration of nitric oxide (NO), or cyclic guanosine 3',5'-monophosphate (cGMP) or both, or an upregulation of the NO pathway is desirable.