N-2-(2-naphthalenesulfonylamino)ethylthiourea | 153938-45-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N-2-(2-naphthalenesulfonylamino)ethylthiourea
• 英文别名: 2-(naphthalen-2-ylsulfonylamino)ethylthiourea
• CAS: 153938-45-5
• 化学式: C₁₃H₁₅N₃O₂S₂
• 分子量: 309.413
• InChiKey: FPEQNUVVJXBOPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.95
• 重原子数：
  20.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  84.22
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N-2-(2-naphthalenesulfonylamino)ethylthiourea 在 sodium hydroxide 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 2-[2-[2-(Naphthalen-2-ylsulfonylamino)ethylamino]-1,3-thiazol-4-yl]acetic acid
  参考文献：
  名称：

  Synthesis and activities of new arylsulfonamido thromboxane A2 receptor antagonists

  摘要：

  New benzoic, benzeneacetic and thiazole-4-acetic acids bearing an arylsulfonamido alkyl or alkylhetero side chain were synthesized and tested in vitro for affinity for human platelet thromboxane A2 receptors and inhibition of U46619-induced rat aortic ring contraction. Influence of substitution patterns, chain length and presence of heteroatoms were studied and compounds within a 30 nmol range for inhibition of U46619-induced contractions were found. One of the most potent, 2-[(4-chloro-benzenesulfonylamino-ethyl)thio] thiazole-4-acetic acid (VII-4) was orally active (1 mg/kg), as evidenced by the inhibition of U46619-induced platelet aggregation in guinea pigs, ex vivo.

  DOI：

  10.1016/0223-5234(93)90093-t
• 作为产物：
  描述：

  2-萘磺酰氯 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 5.0h， 生成 N-2-(2-naphthalenesulfonylamino)ethylthiourea
  参考文献：
  名称：

  Synthesis and activities of new arylsulfonamido thromboxane A2 receptor antagonists

  摘要：

  New benzoic, benzeneacetic and thiazole-4-acetic acids bearing an arylsulfonamido alkyl or alkylhetero side chain were synthesized and tested in vitro for affinity for human platelet thromboxane A2 receptors and inhibition of U46619-induced rat aortic ring contraction. Influence of substitution patterns, chain length and presence of heteroatoms were studied and compounds within a 30 nmol range for inhibition of U46619-induced contractions were found. One of the most potent, 2-[(4-chloro-benzenesulfonylamino-ethyl)thio] thiazole-4-acetic acid (VII-4) was orally active (1 mg/kg), as evidenced by the inhibition of U46619-induced platelet aggregation in guinea pigs, ex vivo.

  DOI：

  10.1016/0223-5234(93)90093-t

文献信息

• Sartori E., Camy F., Teulon J. M., Caussade F., Virone-Oddos A., Cloarec +, Eur. J. Med. Chem, 28 (1993) N 7-8, S 625-632
  作者：Sartori E., Camy F., Teulon J. M., Caussade F., Virone-Oddos A., Cloarec +

  DOI：——

  日期：——