2-Methyl-6-(propan-2-yl)pyrimidine-4-carbonitrile | 1286784-53-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-Methyl-6-(propan-2-yl)pyrimidine-4-carbonitrile
• 英文别名: 2-methyl-6-propan-2-ylpyrimidine-4-carbonitrile
• CAS: 1286784-53-9
• 化学式: C₉H₁₁N₃
• 分子量: 161.206
• InChiKey: OKCMGIGXAATAAD-UHFFFAOYSA-N

物化性质

• 沸点：
  244.3±28.0 °C(Predicted)
• 密度：
  1.06±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  49.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Methyl-6-(propan-2-yl)pyrimidine-4-carbonitrile 在 水 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 2-Methyl-6-(propan-2-yl)pyrimidine-4-carboxylic acid
  参考文献：
  名称：

  Arylpiperazine-containing pyrimidine 4-carboxamide derivatives targeting serotonin 5-HT2A, 5-HT2C, and the serotonin transporter as a potential antidepressant

  摘要：

  Pyrimidine usually has good pharmacokinetic properties as a drug substance and considerable efforts have been devoted to develop pyrimidine derivatives into drug candidates. Arylpiperazine-containing pyrimidine 4-carboxamide derivatives were synthesized and evaluated for binding to serotonin receptors and transporter. Pyrimidine derivatives showed good antidepressant activity in FST (forced swimming test) animal model and also displayed no appreciable inhibitory activity against hERG channel blocking assay. Herein SAR studies of pyrimidine derivatives targeting serotonin receptors and transporter will be disclosed. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.081
• 作为产物：
  描述：

  zinc(II) cyanide 、 4-氯-6-异丙基-2-甲基嘧啶 在 四(三苯基膦)钯 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 生成 2-Methyl-6-(propan-2-yl)pyrimidine-4-carbonitrile
  参考文献：
  名称：

  Arylpiperazine-containing pyrimidine 4-carboxamide derivatives targeting serotonin 5-HT2A, 5-HT2C, and the serotonin transporter as a potential antidepressant

  摘要：

  Pyrimidine usually has good pharmacokinetic properties as a drug substance and considerable efforts have been devoted to develop pyrimidine derivatives into drug candidates. Arylpiperazine-containing pyrimidine 4-carboxamide derivatives were synthesized and evaluated for binding to serotonin receptors and transporter. Pyrimidine derivatives showed good antidepressant activity in FST (forced swimming test) animal model and also displayed no appreciable inhibitory activity against hERG channel blocking assay. Herein SAR studies of pyrimidine derivatives targeting serotonin receptors and transporter will be disclosed. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.081

文献信息

• [EN] COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY<br/>[FR] COMPOSÉS ET COMPOSITIONS DESTINÉS AU TRAITEMENT D'ÉTATS PATHOLOGIQUES ASSOCIÉS À UNE ACTIVITÉ DE STING
  申请人：IFM DUE INC

  公开号：WO2020243519A1

  公开（公告）日：2020-12-03

  This disclosure features chemical entities (e.g., a compound or a pharmaceutically acceptable salt, and/or hydrate, and/or cocrystal, and/or drug combination of the compound) that inhibit (e.g., antagonize) Stimulator of Interferon Genes (STING). Said chemical entities are useful, e.g., for treating a condition, disease or disorder in which increased (e.g., excessive) STING activation (e.g., STING signaling) contributes to the pathology and/or symptoms and/or progression of the condition, disease or disorder (e.g., cancer) in a subject (e.g., a human). This disclosure also features compositions containing the same as well as methods of using and making the same.

  这份披露涉及化学实体（例如，一种化合物或一种药用可接受的盐，和/或水合物，和/或共晶体，和/或该化合物的药物组合），其抑制（例如，对抗）干扰素基因激活剂（STING）。这些化学实体可用于治疗一种情况、疾病或紊乱，其中增加（例如，过度的）STING激活（例如，STING信号传导）导致该情况、疾病或紊乱的病理学和/或症状和/或进展（例如，癌症）在受试者（例如，人类）中。这份披露还涉及包含同样化学实体的组合物，以及使用和制备这些组合物的方法。