N-(1-bromo-1-(4-methyl-1,2,3-thiadiazol-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl)-4-methyl-1,2,3-thiadiazole-5-carboxamide | 1227096-08-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(1-bromo-1-(4-methyl-1,2,3-thiadiazol-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
• 英文别名: N-[1-bromo-1-(4-methylthiadiazol-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-4-methylthiadiazole-5-carboxamide
• CAS: 1227096-08-3
• 化学式: C₁₄H₁₅BrN₆O₃S₂
• 分子量: 459.348
• InChiKey: LLGAAKMUDQNTKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  167
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4-methyl-N-(1-(4-methyl-1,2,3-thiadiazol-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl)-1,2,3-thiadiazole-5-carboxamide 在 溴 作用下， 以 氯仿 为溶剂， 以67.9%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)-4-methyl-1,2,3-thiadiazole-5-carboxamide
  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