4-甲氧基-1-甲基-1H-吲唑-3-羧酸 | 1210745-11-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 中文名称: 4-甲氧基-1-甲基-1H-吲唑-3-羧酸
• 英文名称: 4-methoxy-1-methyl-1H-indazole-3-carboxylic acid
• 英文别名: 4-methoxy-1-methylindazole-3-carboxylic acid
• CAS: 1210745-11-1
• 化学式: C₁₀H₁₀N₂O₃
• 分子量: 206.201
• InChiKey: WOPVBTDFLHYBGJ-UHFFFAOYSA-N

物化性质

• 熔点：
  204-207 °C
• 沸点：
  417.1±25.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  64.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-甲氧基-1-甲基-1H-吲唑-3-羧酸 、 exo-3-Amino-9-methyl-9-azabicyclo[3,3,1]nonane 在 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以93%的产率得到4-methoxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide
  参考文献：
  名称：

  Toward Biophysical Probes for the 5-HT₃ Receptor: Structure−Activity Relationship Study of Granisetron Derivatives

  摘要：

  This report describes the synthesis and biological characterization of novel granisetron derivatives that are antagonists of the human serotonin (5-HT(3)A) receptor. Some of these substituted granisetron derivatives showed low nanomolar binding affinity and allowed the identification of positions on the granisetron core that might be used as attachment points for biophysical tags. A BODIPY fluorophore was appended to one Such position and specifically bound to 5-HT(3)A receptors in mammalian cells.

  DOI：

  10.1021/jm901827x
• 作为产物：
  描述：

  ethyl 4-methoxy-1-methyl-1H-indazole-3-carboxylate 在 水 、 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 8.0h， 以98%的产率得到4-甲氧基-1-甲基-1H-吲唑-3-羧酸
  参考文献：
  名称：

  Toward Biophysical Probes for the 5-HT₃ Receptor: Structure−Activity Relationship Study of Granisetron Derivatives

  摘要：

  This report describes the synthesis and biological characterization of novel granisetron derivatives that are antagonists of the human serotonin (5-HT(3)A) receptor. Some of these substituted granisetron derivatives showed low nanomolar binding affinity and allowed the identification of positions on the granisetron core that might be used as attachment points for biophysical tags. A BODIPY fluorophore was appended to one Such position and specifically bound to 5-HT(3)A receptors in mammalian cells.

  DOI：

  10.1021/jm901827x

文献信息

• Monoacylglycerol Lipase Modulators
  申请人：Janssen Pharmaceutica NV

  公开号：US20200102311A1

  公开（公告）日：2020-04-02

  Bridged compounds of Formula (I) and Formula (II), pharmaceutical compositions containing them, methods of making them, and methods of using them including methods for treating disease states, disorders, and conditions associated with MGL modulation, such as those associated with pain, psychiatric disorders, neurological disorders (including, but not limited to major depressive disorder, treatment resistant depression, anxious depression, bipolar disorder), cancers and eye conditions. wherein R 2 , R 3 R 4 , R 5 and R 6 are defined herein.

  桥接化合物，其结构式为(I)和(II)，包含它们的药物组合物，制造它们的方法，以及使用它们的方法，包括用于治疗与MGL调节相关的疾病状态、障碍和状况的方法，如与疼痛、精神障碍、神经障碍（包括但不限于重性抑郁障碍、难治性抑郁、焦虑性抑郁、双相情感障碍）、癌症和眼科疾病相关的方法。 其中R2、R3、R4、R5和R6的定义如下。