1-[2-(Cyclopropylamino)-1,3-thiazol-5-yl]ethanone | 1122003-83-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[2-(Cyclopropylamino)-1,3-thiazol-5-yl]ethanone
• CAS: 1122003-83-1
• 化学式: C₈H₁₀N₂OS
• 分子量: 182.246
• InChiKey: GQFQYBGSMSEQPE-UHFFFAOYSA-N

物化性质

• 沸点：
  319.3±34.0 °C(predicted)
• 密度：
  1.376±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(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：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  70.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[2-(Cyclopropylamino)-1,3-thiazol-5-yl]ethanone 、 2-氯苯甲醛 在 水 、 potassium hydroxide 作用下， 以 乙醇 为溶剂， 生成 C₁₅H₁₅ClN₂S
  参考文献：
  名称：

  Utilization of a nitrogen–sulfur nonbonding interaction in the design of new 2-aminothiazol-5-yl-pyrimidines as p38α MAP kinase inhibitors

  摘要：

  The design, synthesis, and structure-activity relationships (SAR) of a series of 2-aminothiazol-5-yl-pyrimidines as novel p38α MAP kinase inhibitors are described. These efforts led to the identification of 41 as a potent p38α inhibitor that utilizes a unique nitrogen-sulfur intramolecular nonbonding interaction to stabilize the conformation required for binding to the p38α active site. X-ray crystallographic studies that confirm the proposed binding mode of this class of inhibitors in p38 α and provide evidence for the proposed intramolecular nitrogen-sulfur interaction are discussed.

  DOI：

  10.1016/j.bmcl.2010.07.102
• 作为产物：
  描述：

  1-cyclopropyl-3-[1-dimethylaminomethylidene]thiourea 、 一氯丙酮 在 三乙胺 作用下， 以 乙腈 为溶剂， 生成 1-[2-(Cyclopropylamino)-1,3-thiazol-5-yl]ethanone
  参考文献：
  名称：

  Utilization of a nitrogen–sulfur nonbonding interaction in the design of new 2-aminothiazol-5-yl-pyrimidines as p38α MAP kinase inhibitors

  摘要：

  The design, synthesis, and structure-activity relationships (SAR) of a series of 2-aminothiazol-5-yl-pyrimidines as novel p38α MAP kinase inhibitors are described. These efforts led to the identification of 41 as a potent p38α inhibitor that utilizes a unique nitrogen-sulfur intramolecular nonbonding interaction to stabilize the conformation required for binding to the p38α active site. X-ray crystallographic studies that confirm the proposed binding mode of this class of inhibitors in p38 α and provide evidence for the proposed intramolecular nitrogen-sulfur interaction are discussed.

  DOI：

  10.1016/j.bmcl.2010.07.102

文献信息

• Glycosidase Inhibitors
  申请人：YU Henry

  公开号：US20160031871A1

  公开（公告）日：2016-02-04

  Compounds of formula (I) wherein X 1 , X 2 , W, R 1 to R 5 , L and m have the meaning according to the claims, are glucosidase inhibitors, and can be employed, inter alia, for the treatment of Alzheimer's disease.

  式(I)的化合物中，其中X1、X2、W、R1至R5、L和m的含义根据权利要求书所述，是葡萄糖苷酶抑制剂，可用于治疗阿尔茨海默病等疾病。
• US9879001B2
  申请人：——

  公开号：US9879001B2

  公开（公告）日：2018-01-30