2-(4-aminophenyl)-1,4,5,6-tetrahydropyrimidine | 129545-66-0

• 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: 2-(4-aminophenyl)-1,4,5,6-tetrahydropyrimidine
• 英文别名: 4-(1,4,5,6-Tetrahydropyrimidin-2-yl)aniline
• CAS: 129545-66-0
• 化学式: C₁₀H₁₃N₃
• 分子量: 175.233
• InChiKey: ZPDYCNXXQBVTQP-UHFFFAOYSA-N

物化性质

• 沸点：
  387.9±34.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,4-ethylenedioxythiophene- 2,5-dicarbonyl chloride 、 2-(4-aminophenyl)-1,4,5,6-tetrahydropyrimidine 以 氯仿 为溶剂， 反应 96.0h， 以17.4%的产率得到
  参考文献：
  名称：

  Synthesis, DNA Interactions and Anticancer Evaluation of Novel Diamidine Derivatives of 3,4-Ethylenedioxythiophene

  摘要：

  Eight novel diamidino 3,4-ethylenedioxythiophene-2,5-dicarboxanilides (5a-h), obtained by condensation reaction of 3,4-ethylenedioxythiophene-2,5-dicarbonyl chloride and corresponding 3- or 4-aminobenzamidines, were evaluated for interactions with double-stranded DNA and RNA, and their cytotoxicity was assayed against the panel of human cancer cell lines. All compounds preferentially bind into the minor groove of DNA and had higher affinity for DNA than for RNA. Compounds 5a-h showed a moderate antiproliferative effect toward the panel of seven carcinoma cells line, whereby the highest inhibitory potential was displayed by compound 5a with unsubstituted amidino moieties in para position. (doi: 10.5562/cca2141)

  DOI：

  10.5562/cca2141
• 作为产物：
  描述：

  对三氟甲基苯胺 、 1,3-丙二胺 在 正丁基锂 作用下， 以 乙醚 为溶剂， 反应 1.5h， 以72%的产率得到2-(4-aminophenyl)-1,4,5,6-tetrahydropyrimidine
  参考文献：
  名称：

  Wydra, Roman L.; Patterson, Steven E.; Strekowski, Lucjan, Journal of Heterocyclic Chemistry, 1990, vol. 27, # 3, p. 803 - 805

  摘要：

  DOI：

文献信息

• Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists
  申请人：Garofalo W. Albert

  公开号：US20050032868A1

  公开（公告）日：2005-02-10

  Disclosed are compounds that are bradykinin B 1 receptor antagonists and are useful for treating diseases, or relieving adverse symptoms associated with disease conditions, in mammals mediated by bradykinin B 1 receptor. Certain of the compounds exhibit increased potency and are also expected to exhibit increased duration of action.

  本发明涉及一种用于治疗哺乳动物中由于缓激肽B1受体介导的疾病或缓解与疾病状态相关的不良症状的缓激肽B1受体拮抗剂化合物。其中某些化合物表现出增强的效力，并且预计还会表现出增强的作用持续时间。
• 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases
  申请人：Garofalo W. Albert

  公开号：US20070123531A1

  公开（公告）日：2007-05-31

  Disclosed are compounds that are bradykinin B1 receptor antagonists and are useful for treating diseases, or relieving adverse symptoms associated with disease conditions, in mammals mediated by bradykinin B1 receptor. Certain of the compounds exhibit increased potency and are also expected to exhibit increased duration of action.

  本发明涉及一种可以用于治疗哺乳动物中由于Bradykinin B1受体介导的疾病或缓解与疾病状态相关的不良症状的化合物，这些化合物是Bradykinin B1受体拮抗剂。其中某些化合物表现出增强的效力，并且预计还将表现出增加的作用持续时间。
• 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL)AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES
  申请人：ELAN PHARMACEUTICALS, INC.

  公开号：EP1635821B1

  公开（公告）日：2009-07-08
• Synthesis, DNA Interactions and Anticancer Evaluation of Novel Diamidine Derivatives of 3,4-Ethylenedioxythiophene
  作者：Ivana Stolić、Monika Avdičević、Nikola Bregović、Ivo Piantanida、Ljubica Glavaš-Obrovac、Miroslav Bajić

  DOI：10.5562/cca2141

  日期：——

  Eight novel diamidino 3,4-ethylenedioxythiophene-2,5-dicarboxanilides (5a-h), obtained by condensation reaction of 3,4-ethylenedioxythiophene-2,5-dicarbonyl chloride and corresponding 3- or 4-aminobenzamidines, were evaluated for interactions with double-stranded DNA and RNA, and their cytotoxicity was assayed against the panel of human cancer cell lines. All compounds preferentially bind into the minor groove of DNA and had higher affinity for DNA than for RNA. Compounds 5a-h showed a moderate antiproliferative effect toward the panel of seven carcinoma cells line, whereby the highest inhibitory potential was displayed by compound 5a with unsubstituted amidino moieties in para position. (doi: 10.5562/cca2141)
• Wydra, Roman L.; Patterson, Steven E.; Strekowski, Lucjan, Journal of Heterocyclic Chemistry, 1990, vol. 27, # 3, p. 803 - 805
  作者：Wydra, Roman L.、Patterson, Steven E.、Strekowski, Lucjan

  DOI：——

  日期：——