利奥西呱杂质18 | 1169770-52-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并吡啶类
• 中文名称: 利奥西呱杂质18
• 英文名称: 2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-N5,N5-dimethylpyrimidine-4,5,6-triamine
• 英文别名: 2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-N,5-N-dimethylpyrimidine-4,5,6-triamine
• CAS: 1169770-52-8
• 化学式: C₁₉H₁₉FN₈
• 分子量: 378.412
• InChiKey: XKUSLYPARDWZIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• [EN] FUSED BICYCLIC SGC STIMULATORS<br/>[FR] STIMULATEURS SGC BICYCLIQUES FUSIONNÉS
  申请人：IRONWOOD PHARMACEUTICALS INC

  公开号：WO2018045276A1

  公开（公告）日：2018-03-08

  The present disclosure relates to stimulators of soluble guanylate cyclase (sGC), pharmaceutical formulations comprising them and their uses thereof, alone or in combination with one or more additional agents, for treating various diseases, wherein an increase in the concentration of nitric oxide (NO) or an increase in the concentration of cyclic Guanosine Monophosphate (cGMP), or both, or an upregulation of the NO pathway is desirable. The compounds are of Formula I: