2-氯甲基-5-(4-氯苯基)噻吩并[2,3-d]嘧啶-4(3h-)-酮 | 91225-69-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 中文名称: 2-氯甲基-5-(4-氯苯基)噻吩并[2,3-d]嘧啶-4(3h-)-酮
• 英文名称: 2-Chloromethyl-5-(4-chloro-phenyl)-3H-thieno[2,3-d]pyrimidin-4-one
• 英文别名: 2-(chloromethyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one；2-(chloromethyl)-5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
• CAS: 91225-69-3
• 化学式: C₁₃H₈Cl₂N₂OS
• mdl: MFCD03968049
• 分子量: 311.191
• InChiKey: IFNAAJQQYOHYKB-UHFFFAOYSA-N

物化性质

• 密度：
  1.58±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.076
• 拓扑面积：
  69.7
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  2-氯甲基-5-(4-氯苯基)噻吩并[2,3-d]嘧啶-4(3h-)-酮 在 sodium hydroxide 、 三氯氧磷 作用下， 生成
  参考文献：
  名称：

  Synthesis and biological evaluation of novel condensed pyrimidinylmethylsulfinylbenzimidazoles as antiulcer agent

  摘要：

  Current therapies to treat gastroesophageal reflux disease (GERD), peptic ulcer disease (PUD), and other acid-related diseases either prevent stimulation of the parietal cell (H-2-receptor antagonists) or inhibit gastric H+/K+-ATPase (proton pump inhibitors). The inhibition of acid production by proton pump inhibitors (PPI's) provides more effective relief of symptoms and healing. A series of novel 4-substituted-2-(1H-benzimidazol-2-yl)methylsulfinylpyrimidines were synthesized as target compounds and antiulcer activity was done using parameters like total acidity, pH, and total gastric acid volume by pylorus ligation method on Wistar rats. Three different dose levels were employed for testings. The target compounds 4-substituted-2-(1H-benzimidazol-2-yl)methylsulfinylpyrimidines were effective for ulcer treatment and among them compounds 10c, 10d, 8b, and 8c exhibited potent antisecretory activity. Overall, compounds 10c, 10d, 8b, and 8c can be looked upon as potential leads for further development and investigations.

  DOI：

  10.1007/s00044-012-0358-6
• 作为产物：
  描述：

  2-氨基-4-(4-氯苯基)-3-甲酸乙酯基噻吩 、 氯乙腈 在 盐酸 作用下， 以 水 为溶剂， 生成 2-氯甲基-5-(4-氯苯基)噻吩并[2,3-d]嘧啶-4(3h-)-酮
  参考文献：
  名称：

  新型 2-[1-(取代苯基)-4-氧代-氮杂环丁烷-2-基]-5,6-二取代噻吩并[2,3-d]嘧啶-4(3H)-ones的设计、合成和抗高血脂评估

  摘要：

  合成了具有胆固醇吸收抑制剂药物依折麦布和潜在抗高血脂药 2-取代噻吩并嘧啶-4-酮的综合特征的氮杂环丁酮的新型噻吩并嘧啶衍生物，并通过光谱数据和元素分析对其进行了表征。在 Wistar 白化大鼠中评估了这些化合物的降脂活性。在相同剂量水平下，其中一些显示出与标准药物吉非贝齐相当的显着降脂作用。

  DOI：

  10.1002/ardp.201300001

文献信息

• Design, Synthesis, and Antihyperlipidemic Evaluation of Novel 2-[1-(Substitutedphenyl)-4-oxo-azetidin-2-yl]-5,6-disubstitutedthieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-ones
  作者：Nikhilesh Arya、Manoj K. Munde、Jaya Dwivedi、Archana Y. Jagdale、Kishor S. Jain

  DOI：10.1002/ardp.201300001

  日期：2013.8

  inhibitor drug ezetimibe and potential antihyperlipidemic 2‐substitutedthienopyrimidin‐4‐ones were synthesized and characterized by spectroscopic data and elemental analysis. These compounds were evaluated for their lipid‐lowering activity in Wistar albino rats. Some of them showed significant lipid‐lowering effects comparable to those of the standard drug, gemfibrozil, at the same dose levels.

  合成了具有胆固醇吸收抑制剂药物依折麦布和潜在抗高血脂药 2-取代噻吩并嘧啶-4-酮的综合特征的氮杂环丁酮的新型噻吩并嘧啶衍生物，并通过光谱数据和元素分析对其进行了表征。在 Wistar 白化大鼠中评估了这些化合物的降脂活性。在相同剂量水平下，其中一些显示出与标准药物吉非贝齐相当的显着降脂作用。
• Kathiravan, Matthu K.; Shishoo, Chamanlal J.; Kumar, Krishnan Girish, Arzneimittel-Forschung/Drug Research, 2007, vol. 57, # 9, p. 599 - 606
  作者：Kathiravan, Matthu K.、Shishoo, Chamanlal J.、Kumar, Krishnan Girish、Roy, Saroj Kumar、Mahadik, Kakasheb R.、Kadam, Shivajirao S.、Jain, Kishor S.

  DOI：——

  日期：——
• Shishoo, C. J.; Devani, M. B.; Pathak, U. S., Journal of Heterocyclic Chemistry, 1984, vol. 21, p. 375 - 380
  作者：Shishoo, C. J.、Devani, M. B.、Pathak, U. S.、Ananthan, S.、Bhadti, V. S.、et al.

  DOI：——

  日期：——
• Synthesis and antihyperlipidemic activity of novel condensed 2-fluoromethylpyrimidines
  作者：Muthu K. Kathiravan、Kapil D. More、Vikas K. Raskar、Kishor S. Jain、Mukta Maheshwar、Sandeep Gadhwe、Dilpesh P. Jain、Madhuri A. Nagras、Manisha S. Phoujdar

  DOI：10.1007/s00044-012-0263-z

  日期：2013.9

  A series of novel condensed 2-fluoromethylpyrimidines has been synthesized and evaluated for antihyperlipidemic activity in high fat diet fed hyperlipidemic Sprague-Dawley rats. The aim of this study was to investigate the effect of the fluorine atom at the 2-methyl position of these compounds. Most of the synthesized compounds significantly affected the lipid profile of the test animals. Compound IIIb exhibited remarkably best effects in lowering the serum cholesterol and triglyceride levels and elevating the serum HDL levels, of the test animals.A series of novel condensed 2-fluoromethylpyrimidines was synthesized and evaluated for antihyperlipidemic activity in hyperlipidemic Spargue-Dawley rats. All compounds, especially IIIb, significantly affected the lipid profile of test animals.
• SHISHOO, C. J.;DEVANI, M. B.;PATHAK, U. S.;ANANTHAN, S.;BHADTI, V. S.;ULL+, J. HETEROCYCL. CHEM., 1984, 21, N 2, 375-379
  作者：SHISHOO, C. J.、DEVANI, M. B.、PATHAK, U. S.、ANANTHAN, S.、BHADTI, V. S.、ULL+

  DOI：——

  日期：——