5-[(2E)-3-(2-呋喃基)-2-丙烯-1-亚基]-2-硫代二氢-4,6(1H,5H)-嘧啶二酮 | 99974-02-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 5-[(2E)-3-(2-呋喃基)-2-丙烯-1-亚基]-2-硫代二氢-4,6(1H,5H)-嘧啶二酮
• 英文名称: 5-(3-furan-2-yl-allylidene)-2-thioxodihydropyrimidine-4,6-dione
• 英文别名: 5-(3t-[2]furyl-allylidene)-2-thio-barbituric acid；5-(3t-[2]Furyl-allyliden)-2-thio-barbitursaeure；5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
• CAS: 99974-02-4
• 化学式: C₁₁H₈N₂O₃S
• 分子量: 248.262
• InChiKey: FZPZMDRQJKKBQQ-HNQUOIGGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 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：
  103
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为产物：
  描述：

  4,6-二羟基-2-巯基嘧啶 、 反-3-(2-呋喃基)丙烯醛 生成 5-[(2E)-3-(2-呋喃基)-2-丙烯-1-亚基]-2-硫代二氢-4,6(1H,5H)-嘧啶二酮
  参考文献：
  名称：

  Ponomarew; Ditschkowa, Uchenye Zapiski Saratovskogo Gosudarstvennogo Universiteta, 1955, vol. 42, p. 45,48

  摘要：

  DOI：

文献信息

• 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。
• Ponomarew; Ditschkowa, Uchenye Zapiski Saratovskogo Gosudarstvennogo Universiteta, 1955, vol. 42, p. 45,48
  作者：Ponomarew、Ditschkowa

  DOI：——

  日期：——
• Inhibitors of MALT1-proteolytic activity and uses thereof
  申请人：VIB VZW

  公开号：EP2222326B1

  公开（公告）日：2012-04-18
• INHIBITORS OF MALT1 PROTEOLYTIC ACTIVITY AND USES THEREOF
  申请人：VIB VZW

  公开号：EP2222326B2

  公开（公告）日：2015-02-25
• BARBITURATE AND THIOBARBITURATE COMPOUNDS FOR USE IN CANCER THERAPY
  申请人：NUHOPE, LLC

  公开号：US20180134691A1

  公开（公告）日：2018-05-17

  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.