8-fluoro-1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine | 1344669-77-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: 8-fluoro-1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine
• CAS: 1344669-77-7
• 化学式: C₁₆H₁₁F₄N₇
• 分子量: 377.304
• InChiKey: PJHZRVIOQPMWLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  84.6
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  3-氟吡啶-2-醛 在 盐酸 、 盐酸羟胺 、 ammonium acetate 、 氨 、 caesium carbonate 、 Ammonium hydroxide 、 一水合肼 、 N,N-二异丙基乙胺 、 三氟乙酸酐 、 sodium hydroxide 、 锌 、 三氯氧磷 作用下， 以 四氢呋喃 、 吡啶 、 甲醇 、 乙醇 、 二氯甲烷 、 水 、 异丙醇 为溶剂， 生成 8-fluoro-1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine
  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.
• USE OF sGC STIMULATORS FOR THE TREATMENT OF MITOCHONDRIAL DISORDERS
  申请人：Cyclerion Therapeutics, Inc.

  公开号：US20210177846A1

  公开（公告）日：2021-06-17

  The present disclosure relates to methods, uses, pharmaceutical compositions comprising an sGC stimulator or a pharmaceutically acceptable salt thereof, alone or in combination with one or more additional therapeutic agents, for the treatment of a mitochondrial disorder.
• [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.
• [EN] USE OF SGC STIMULATORS FOR THE TREATMENT OF ESOPHAGEAL MOTILITY DISORDERS<br/>[FR] UTILISATION DE STIMULATEURS DE SGC POUR LE TRAITEMENT DE LA MOTILITÉ ŒSOPHAGIENNE
  申请人：IRONWOOD PHARMACEUTICALS INC

  公开号：WO2018111795A2

  公开（公告）日：2018-06-21

  The present disclosure relates to methods, uses, pharmaceutical compositions comprising an sGC stimulator or a pharmaceutically acceptable salt thereof, alone or in combination with one or more additional therapeutic agents, for the treatment of an esophageal motility disorder.
• Acidic triazoles as soluble guanylate cyclase stimulators
  作者：Lee R. Roberts、Paul A. Bradley、Mark E. Bunnage、Katherine S. England、David Fairman、Yvette M. Fobian、David N.A. Fox、Geoff E. Gymer、Steven E. Heasley、Jerome Molette、Graham L. Smith、Michelle A. Schmidt、Michael A. Tones、Kevin N. Dack

  DOI：10.1016/j.bmcl.2011.08.071

  日期：2011.11

  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.