(E)-1-<4-<(8-amino-3-azaoctamethylene)oxy>phenyl>-2-chloro-1,2-diphenylethylene dihydrobromide | 95764-38-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (E)-1-<4-<(8-amino-3-azaoctamethylene)oxy>phenyl>-2-chloro-1,2-diphenylethylene dihydrobromide
• 英文别名: (E)-1-{4-[(8-amino-3-azaoctamethylene)oxy]phenyl}-2-chloro-1,2-diphenylethylene dihydrobromide
• CAS: 95764-38-8
• 化学式: 2BrH*C₂₇H₃₁ClN₂O
• 分子量: 596.833
• InChiKey: AVADNLYNDWGMCV-JGUILPGDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.52
• 重原子数：
  32.0
• 可旋转键数：
  12.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  47.28
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (E)-1-<4-<(8-amino-3-azaoctamethylene)oxy>phenyl>-2-chloro-1,2-diphenylethylene dihydrobromide 、 氯乙酰氯 在 sodium hydroxide 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 3.0h， 以46%的产率得到(E)-1-<4-<<3-aza-8-(chloroacetamido)-3-(chloroacetyl)octamethylene>oxy>phenyl>-2-chloro-1,2-diphenylethylene
  参考文献：
  名称：

  Isoxazoles with antipicornavirus activity

  摘要：

  The synthesis and evaluation of a series of 3,5-disubstituted isoxazoles as antipicornavirus agents have led to the discovery of several compounds effective in vitro against rhinovirus type 2 and poliovirus type 2. Compound 32 was found more effective than 4',6-dichloroflavan against both viruses and was evaluated orally in mice infected intracerebrally with polio-2. At 31 mg/kg bid, compound 32 showed a 53% survival rate as compared to 22% for the nonmedicated animals.

  DOI：

  10.1021/jm00383a010
• 作为产物：
  描述：

  (Z/E)-1-<4-(2-bromoethoxy)phenyl>-1,2-diphenyl ethene 在 氢溴酸 、 氯 作用下， 以 四氯化碳 、 戊醇 、 溶剂黄146 为溶剂， 反应 9.0h， 生成 (E)-1-<4-<(8-amino-3-azaoctamethylene)oxy>phenyl>-2-chloro-1,2-diphenylethylene dihydrobromide
  参考文献：
  名称：

  Isoxazoles with antipicornavirus activity

  摘要：

  The synthesis and evaluation of a series of 3,5-disubstituted isoxazoles as antipicornavirus agents have led to the discovery of several compounds effective in vitro against rhinovirus type 2 and poliovirus type 2. Compound 32 was found more effective than 4',6-dichloroflavan against both viruses and was evaluated orally in mice infected intracerebrally with polio-2. At 31 mg/kg bid, compound 32 showed a 53% survival rate as compared to 22% for the nonmedicated animals.

  DOI：

  10.1021/jm00383a010