(E)-5-((3-furan-2-yl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (E)-5-((3-furan-2-yl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
• 英文别名: 5-[(2E)-3-(Furan-2-YL)prop-2-EN-1-ylidene]-1,3-diazinane-2,4,6-trione；5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
• 化学式: C₁₁H₈N₂O₄
• 分子量: 232.196
• InChiKey: PRGJOMANJQAXIH-HNQUOIGGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  88.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  巴比妥酸 、 反-3-(2-呋喃基)丙烯醛 以 甲醇 为溶剂， 以97%的产率得到(E)-5-((3-furan-2-yl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
  参考文献：
  名称：

  α，β-共轭和芳香醛与巴比妥酸的knoevenagel缩合的简单方法

  摘要：

  在不存在酸或碱作为催化剂的情况下，将几种芳族和α，β-共轭芳族醛与巴比妥酸在甲醇溶液中缩合，以几乎定量的产率提供5-亚烷基巴比妥酸衍生物。

  DOI：

  10.1002/jhet.5570380318

文献信息

• [EN] COMPOUNDS FOR USE IN CANCER THERAPY<br/>[FR] COMPOSÉS POUR UTILISATION DANS LA THÉRAPIE DU CANCER
  申请人：NUHOPE LLC

  公开号：WO2013024447A1

  公开（公告）日：2013-02-21

  Provided are methods and compositions for use in therapy, and in particular for treating cancer, preferably drug-resistant cancer, and/or radiation resistant cancer. The compounds may be used for reducing tumor size in a mammalian subject and for inducing apoptosis in a tumor cell. The methods are effective on tumor cells that are resistant to drugs such as temozolomide, doxorubicin, and geldanamycin, as well as non-resistant tumor cells. Further provided are barbiturate and thiobarbiturates diene compounds for use in treating cancer, and uses, methods and compositions relating to these compounds.

  提供了用于治疗的方法和组合物，特别是用于治疗癌症，最好是药物耐药性癌症和/或放射线耐药性癌症。这些化合物可用于减小哺乳动物主体的肿瘤大小，并诱导肿瘤细胞凋亡。这些方法对于对于药物如替莫唑胺、多柔比星和格兰达霉素耐药的肿瘤细胞以及非耐药的肿瘤细胞都有效。此外，还提供了用于治疗癌症的巴比妥和硫代巴比妥二烯化合物，以及与这些化合物相关的用途、方法和组合物。
• Barbiturate and thiobarbiturate compounds for use in cancer therapy
  申请人：Connor James R.

  公开号：US09878998B2

  公开（公告）日：2018-01-30

  Provided are methods and compositions for use in therapy, and in particular for treating cancer, preferably drug-resistant cancer, and/or radiation resistant cancer. The compounds may be used for reducing tumor size in a mammalian subject and for inducing apoptosis in a tumor cell. The methods are effective on tumor cells that are resistant to drugs such as temozolomide, doxorubicin, and geldanamycin, as well as non-resistant tumor cells. Further provided are barbiturate and thiobarbiturates diene compounds for use in treating cancer, and uses, methods and compositions relating to these compounds.

  提供了用于治疗的方法和组合物，特别是用于治疗癌症，最好是药物耐药性癌症和/或放射线耐药性癌症。这些化合物可用于减小哺乳动物主体的肿瘤大小，并诱导肿瘤细胞凋亡。这些方法对于对于药物如替莫唑胺、多柔比星和格兰达霉素耐药的肿瘤细胞以及非耐药的肿瘤细胞都有效。此外，还提供了用于治疗癌症的巴比妥和硫代巴比妥二烯化合物，以及与这些化合物相关的用途、方法和组合物。
• A simple method for knoevenagel condensation of α,β-conjugated and aromatic aldehydes with barbituric acid
  作者：Branko S. Jursic

  DOI：10.1002/jhet.5570380318

  日期：2001.5

  Several aromatic and α,β-conjugated aromatic aldehydes were condensed with barbituric acid in methanol solution in the absence of acid or base as a catalyst, affording 5-ylidenebarbituric acid derivatives in almost quantitative yields.

  在不存在酸或碱作为催化剂的情况下，将几种芳族和α，β-共轭芳族醛与巴比妥酸在甲醇溶液中缩合，以几乎定量的产率提供5-亚烷基巴比妥酸衍生物。
• COMPOUNDS FOR USE IN CANCER THERAPY
  申请人：Connor James R.

  公开号：US20150065531A1

  公开（公告）日：2015-03-05

  Provided are methods and compositions for use in therapy, and in particular for treating cancer, preferably drug-resistant cancer, and/or radiation resistant cancer. The compounds may be used for reducing tumor size in a mammalian subject and for inducing apoptosis in a tumor cell. The methods are effective on tumor cells that are resistant to drugs such as temozolomide, doxorubicin, and geldanamycin, as well as non-resistant tumor cells. Further provided are barbiturate and thiobarbiturates diene compounds for use in treating cancer, and uses, methods and compositions relating to these compounds.

  提供了用于治疗疾病的方法和成分，特别是用于治疗癌症，优选为耐药性癌症和/或放射线耐药性癌症。这些化合物可用于减小哺乳动物主体的肿瘤大小，并诱导肿瘤细胞凋亡。这些方法对于耐药性药物如替莫唑胺、多柔比星和格尔达纳霉素以及非耐药性肿瘤细胞都有效。此外，还提供了用于治疗癌症的巴比妥和硫代巴比妥二烯化合物，以及与这些化合物相关的用途、方法和组合物。
• VILLEMIN, DIDIER;LABIAD, BOUCHTA, SYNTH. COMMUN., 20,(1990) N1, C. 3333-3337
  作者：VILLEMIN, DIDIER、LABIAD, BOUCHTA

  DOI：——

  日期：——