2-quinolin-4-yl-1-thiophen-2-yl-ethanone | 7543-24-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-quinolin-4-yl-1-thiophen-2-yl-ethanone
• 英文别名: 4--chinolin；2-Quinolin-4-yl-1-thiophen-2-ylethanone
• CAS: 7543-24-0
• 化学式: C₁₅H₁₁NOS
• mdl: MFCD07636567
• 分子量: 253.324
• InChiKey: HRNOARZCXOOHNX-UHFFFAOYSA-N

物化性质

• 熔点：
  66-68 °C(Solv: dichloromethane (75-09-2); hexane (110-54-3))
• 沸点：
  460.0±25.0 °C(Predicted)
• 密度：
  1.276±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.066
• 拓扑面积：
  58.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-quinolin-4-yl-1-thiophen-2-yl-ethanone 在 一水合肼 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 66.0h， 生成 4-(3-(thiophen-2-yl)-1H-pyrazol-4-yl)quinoline
  参考文献：
  名称：

  Synthesis and Activity of New Aryl- and Heteroaryl-Substituted Pyrazole Inhibitors of the Transforming Growth Factor-β Type I Receptor Kinase Domain

  摘要：

  Pyrazole-based inhibitors of the transforming growth factor-beta type I receptor kinase domain (TbetaR-I) are described. Examination of the SAP, in both enzyme- and cell-based in vitro assays resulted in the emergence of two subseries featuring differing selectivity versus p38 MAP kinase. A common binding mode at the active site has been established by successful cocrystallization and X-ray analysis of potent inhibitors with the TbetaR-I receptor kinase domain.

  DOI：

  10.1021/jm0205705
• 作为产物：
  描述：

  4-甲基喹啉 、 噻吩-2-羧酸甲酯 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 18.17h， 生成 2-quinolin-4-yl-1-thiophen-2-yl-ethanone
  参考文献：
  名称：

  Synthesis and Activity of New Aryl- and Heteroaryl-Substituted Pyrazole Inhibitors of the Transforming Growth Factor-β Type I Receptor Kinase Domain

  摘要：

  Pyrazole-based inhibitors of the transforming growth factor-beta type I receptor kinase domain (TbetaR-I) are described. Examination of the SAP, in both enzyme- and cell-based in vitro assays resulted in the emergence of two subseries featuring differing selectivity versus p38 MAP kinase. A common binding mode at the active site has been established by successful cocrystallization and X-ray analysis of potent inhibitors with the TbetaR-I receptor kinase domain.

  DOI：

  10.1021/jm0205705

文献信息

• Baum,B.M.; Levine,R., Journal of Heterocyclic Chemistry, 1966, vol. 3, p. 272 - 274
  作者：Baum,B.M.、Levine,R.

  DOI：——

  日期：——
• NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS
  申请人：ELI LILLY AND COMPANY

  公开号：EP1397364B1

  公开（公告）日：2007-07-25
• PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER
  申请人：ELI LILLY AND COMPANY

  公开号：EP1543001B1

  公开（公告）日：2007-08-15