7-chloro-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidin-5-one | 72211-60-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 7-chloro-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidin-5-one
• 英文别名: 7-chloro-2,3-dihydro-thiazolo[3,2-a]pyrimidin-5-one；7-Chlor-2,3,4,5-Tetrahydrothiazolo<3,2-a>Pyrimidin-5-on；7-Chloro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• CAS: 72211-60-0
• 化学式: C₆H₅ClN₂OS
• 分子量: 188.638
• InChiKey: SLYHGMXSCKDOKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  58
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-chloro-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidin-5-one 生成 7-morpholin-4-yl-2,3-dihydro-thiazolo[3,2-a]pyrimidin-5-one
  参考文献：
  名称：

  GLENNON R. A.; BASS R. G.; SCHUBERT E., J. HETEROCYCL. CHEM., 1979, 16, NO 5, 903-907

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3-dihydro-thiazolo[3,2-a]pyrimidine-5,7-dione 在 三氯氧磷 作用下， 反应 1.5h， 生成 7-chloro-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidin-5-one
  参考文献：
  名称：

  Glennon,R.A. et al., Journal of Heterocyclic Chemistry, 1979, vol. 16, p. 903 - 907

  摘要：

  DOI：

文献信息

• When Serendipity Knocks on the Door: Synthesis and Physicochemical Characterization of 7-Chloro-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidin-5-one
  作者：Christian Carmona-Vargas、Javier Ellena、Richard D’Vries、Manuel Chaur

  DOI：10.21577/0103-5053.20190043

  日期：——
• Synthesis, antiplatelet activity and comparative molecular field analysis of substituted 2-amino-4 H -pyrido[1,2- a ]pyrimidin-4-ones, their congeners and isosteric analogues
  作者：Giorgio Roma、Nunzia Cinone、Mario Di Braccio、Giancarlo Grossi、Giuliana Leoncini、Maria Grazia Signorello、Angelo Carotti

  DOI：10.1016/s0968-0896(00)00010-9

  日期：2000.4

  2-(1-Piperazinyl)-4H-pyrido[1,2-a]pyrimidin-4-one (5a) is a recently described in vitro inhibitor of human platelet aggregation which specifically inhibits the activity of high affinity cAMP phosphodiesterase. A number of substitution derivatives, isosteres, and analogues of 5a were now synthesized and tested in vitro for their inhibitory activity on human platelet aggregation induced in platelet-rich plasma by ADP, collagen, or the Ca2+ ionophore A23187. Among the most effective compounds, the 6-methyl, 8-methyl and 6,8-dimethyl derivatives of 5a resulted nearly as active as the lead when platelet aggregation was induced by ADP or A23187, but less active when collagen was the inducer. On the basis of present results and those previously obtained by us in this and 2-aminochromone structural fields, we have developed a statistically significant 3-D QSAR model, using comparative molecular field analysis (CoMFA), describing the variation of the antiplatelet activity in terms of molecular steric and electrostatic potential changes. (C) 2000 Elsevier Science Ltd. All rights reserved.
• Glennon,R.A. et al., Journal of Heterocyclic Chemistry, 1979, vol. 16, p. 903 - 907
  作者：Glennon,R.A. et al.

  DOI：——

  日期：——
• GLENNON R. A.; BASS R. G.; SCHUBERT E., J. HETEROCYCL. CHEM., 1979, 16, NO 5, 903-907
  作者：GLENNON R. A.、 BASS R. G.、 SCHUBERT E.

  DOI：——

  日期：——