N-(1-(4-methyl-1,2,3-thiadiazol-5-yl)-3-morpholin-4-yl-3-oxo-prop-1-en-2-yl)benzamide | 1063629-15-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(1-(4-methyl-1,2,3-thiadiazol-5-yl)-3-morpholin-4-yl-3-oxo-prop-1-en-2-yl)benzamide
• 英文别名: N-[1-(4-methylthiadiazol-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
• CAS: 1063629-15-1
• 化学式: C₁₇H₁₈N₄O₃S
• 分子量: 358.421
• InChiKey: UXVBKKINNMDKGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.48
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  84.42
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N-(1-(4-methyl-1,2,3-thiadiazol-5-yl)-3-morpholin-4-yl-3-oxo-prop-1-en-2-yl)benzamide 在 溴 作用下， 以 氯仿 为溶剂， 以58.6%的产率得到N-(1-bromo-1-(4-methyl-1,2,3-thiadiazol-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl)benzamide
  参考文献：
  名称：

  Synthesis and antiviral activity of new acrylamide derivatives containing 1,2,3-thiadiazole as inhibitors of hepatitis B virus replication

  摘要：

  A series of new acrylamide derivatives containing 1,2,3-thiadiazole were synthesized, characterized, and evaluated for their anti-hepatitis B virus (HBV) activities in vitro. The IC(50) of compounds 9b (10.4 mu g/mL), 9c (3.59 mu g/mL) and 17a (9.00 mu g/mL) of the inhibition on the replication of HBV DNA were higher than that of the positive control lamivudine (14.8 mu g/mL). Compound 9d exhibited significant activity against secretion of HBeAg (IC(50) = 12.26 mu g/mL). (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.01.032
• 作为产物：
  描述：

  吗啉 、 4-((4-methyl-1,2,3-thiadiazol-5-yl)methylene)-2-phenyloxazol-5(4H)-one 以 氯仿 为溶剂， 以99.6%的产率得到N-(1-(4-methyl-1,2,3-thiadiazol-5-yl)-3-morpholin-4-yl-3-oxo-prop-1-en-2-yl)benzamide
  参考文献：
  名称：

  Synthesis and antiviral activity of new acrylamide derivatives containing 1,2,3-thiadiazole as inhibitors of hepatitis B virus replication

  摘要：

  A series of new acrylamide derivatives containing 1,2,3-thiadiazole were synthesized, characterized, and evaluated for their anti-hepatitis B virus (HBV) activities in vitro. The IC(50) of compounds 9b (10.4 mu g/mL), 9c (3.59 mu g/mL) and 17a (9.00 mu g/mL) of the inhibition on the replication of HBV DNA were higher than that of the positive control lamivudine (14.8 mu g/mL). Compound 9d exhibited significant activity against secretion of HBeAg (IC(50) = 12.26 mu g/mL). (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.01.032