2-(hydroxymethyl)-1H-indole-7-carbonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 2-(hydroxymethyl)-1H-indole-7-carbonitrile
• 英文别名: 2-(Hydroxymethyl)-1H-indole-7-carbonitrile
• 化学式: C₁₀H₈N₂O
• 分子量: 172.186
• InChiKey: ZPLTZMHJHHGGPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  59.8
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  7-溴-1H-吲哚-2-羧酸甲酯 在 甲醇 、 sodium tetrahydroborate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 11.0h， 生成 2-(hydroxymethyl)-1H-indole-7-carbonitrile
  参考文献：
  名称：

  [EN] HETEROCYCLIC PAD4 INHIBITORS
  [FR] INHIBITEURS DE PAD4 HÉTÉROCYCLIQUES

  摘要：

  The disclosure generally relates to compounds of Formula I, comprising a 1,6,7,8-tetrahydro-5H-imidazo[4,5-g][1,6]isoquinolin-5-one moiety directly bonded to an azaindole or indole moiety, such compounds as inhibitors of PAD4, methods for preparing these compounds pharmaceutical compositions comprising these compounds and uses of these compounds in the treatment of a disease or a disorder associated with PAD4 enzyme activity.

  公开号：

  WO2023230609A1

文献信息

• [EN] HETEROCYCLIC PAD4 INHIBITORS<br/>[FR] INHIBITEURS DE PAD4 HÉTÉROCYCLIQUES
  申请人：[en]CELGENE CORPORATION

  公开号：WO2023230609A1

  公开（公告）日：2023-11-30

  The disclosure generally relates to compounds of Formula I, comprising a 1,6,7,8-tetrahydro-5H-imidazo[4,5-g][1,6]isoquinolin-5-one moiety directly bonded to an azaindole or indole moiety, such compounds as inhibitors of PAD4, methods for preparing these compounds pharmaceutical compositions comprising these compounds and uses of these compounds in the treatment of a disease or a disorder associated with PAD4 enzyme activity.