2-<(N-succinoylamino)methyl>thiophene | 93447-84-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-<(N-succinoylamino)methyl>thiophene
• 英文别名: N-[2]thienylmethyl-succinamic acid；N-[2]Thienylmethyl-succinamidsaeure；4-Oxo-4-[(2-thienylmethyl)amino]butanoic acid；4-oxo-4-(thiophen-2-ylmethylamino)butanoic acid
• CAS: 93447-84-8
• 化学式: C₉H₁₁NO₃S
• 分子量: 213.257
• InChiKey: VAKOIYUDXVCKOV-UHFFFAOYSA-N

物化性质

• 熔点：
  133-135 °C
• 沸点：
  499.6±35.0 °C(Predicted)
• 密度：
  1.317±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  94.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-<(N-succinoylamino)methyl>thiophene 、 mercury(II) diacetate 在 水 作用下， 生成 2-<(N-succinoylamino)methyl>-5-mercuriothiophene
  参考文献：
  名称：

  Mercurial Diuretics¹

  摘要：

  DOI：

  10.1021/ja01638a044
• 作为产物：
  描述：

  2-噻吩甲胺 、 丁二酸酐 在 乙醇 作用下， 生成 2-<(N-succinoylamino)methyl>thiophene
  参考文献：
  名称：

  Mercurial Diuretics¹

  摘要：

  DOI：

  10.1021/ja01638a044

文献信息

• Sulfur-containing 1,3-dialkylxanthine derivatives as selective antagonists at A1-adenosine receptors
  作者：Kenneth A. Jacobson、Leonidas Kiriasis、Suzanne Barone、Barton J. Bradbury、Udai Kammula、Jean Michel Campagne、John W. Daly、John L. Neumeyer、Wolfgang Pfleiderer、Sherrie Secunda

  DOI：10.1021/jm00128a031

  日期：1989.8

  Sulfur-containing analogues of 8-substituted xanthines were prepared in an effort to increase selectivity or potency as antagonists at adenosine receptors. Either cyclopentyl or various aryl substituents were utilized at the 8-position, because of the association of these groups with high potency at A1-adenosine receptors. Sulfur was incorporated on the purine ring at positions 2 and/or 6, in the 8-position substituent in the form of 2- or 3-thienyl groups, or via thienyl groups separated from an 8-aryl substituent through an amide-containing chain. The feasibility of using the thienyl group as a prosthetic group for selective iodination via its Hg2+ derivative was explored. Receptor selectivity was determined in binding assays using membrane homogenates from rat cortex [( 3H]-N6-(phenylisopropyl)adenosine as radioligand] or striatum [3H]-5'-(N-ethylcarbamoyl)adenosine as radioligand] for A1- and A2-adenosine receptors, respectively. Generally, 2-thio-8-cycloalkylxanthines were at least as A1 selective as the corresponding oxygen analogue. 2-Thio-8-aryl derivatives tended to be more potent at A2 receptors than the oxygen analogue. 8-[4-[(Carboxy-methyl)oxyl] phenyl]-1,3-dipropyl-2-thioxanthine ethyl ester was greater than 740-fold A1 selective.