4-(3-Benzenesulfonylamino-propionylamino)-benzoic acid methyl ester | 945309-70-6

• 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: 4-(3-Benzenesulfonylamino-propionylamino)-benzoic acid methyl ester
• 英文别名: Methyl 4-[3-(benzenesulfonamido)propanoylamino]benzoate
• CAS: 945309-70-6
• 化学式: C₁₇H₁₈N₂O₅S
• 分子量: 362.406
• InChiKey: SFCANDPSLGLMTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-(3-Benzenesulfonylamino-propionylamino)-benzoic acid methyl ester 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 4-(3-Benzenesulfonylamino-propionylamino)-benzoic 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：

  methyl 4-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]benzoate 在 一水合肼 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 28.0h， 生成 4-(3-Benzenesulfonylamino-propionylamino)-benzoic acid methyl ester
  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