1H,8H-pyrimido[4,5-d]pyrimidine-2,4,7-trione | 120614-16-6

• 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: 1H,8H-pyrimido[4,5-d]pyrimidine-2,4,7-trione
• 英文别名: 1H,8H-Pyrimido[4,5-d]pyrimidin-2,4,7-trion；pyrimido[4,5-d]pyrimidine-2,4,7(1H,3H,8H)-trione；1,8-dihydropyrimido[4,5-d]pyrimidine-2,5,7-trione
• CAS: 120614-16-6
• 化学式: C₆H₄N₄O₃
• 分子量: 180.123
• InChiKey: ZOMSTEGLGXJSSY-UHFFFAOYSA-N

物化性质

• 密度：
  2.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  99.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-硫乙基-4-氨基-5-氰基嘧啶 在 盐酸 、 氢氧化钾 、 水 、 双氧水 、 sodium ethanolate 作用下， 生成 1H,8H-pyrimido[4,5-d]pyrimidine-2,4,7-trione
  参考文献：
  名称：

  Chatterjee; Anand, Journal Of Scientific and Industrial Research, 1958, vol. 17 B, p. 63,68

  摘要：

  DOI：

文献信息

• Johnson; Chi, Recueil des Travaux Chimiques des Pays-Bas, 1930, vol. 49, p. 197,199
  作者：Johnson、Chi

  DOI：——

  日期：——
• 5-AMINO-2,4,7-TRIOXO-3,4,7,8-TETRAHYDRO-2H-PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF CANCER
  申请人：Japan Tobacco, Inc.

  公开号：EP1761528B1

  公开（公告）日：2008-01-09
• 5-amino-2,4,7-trioxo-3,4,7,8-tetrahydro-2H-pyrido[2,3-d]pyrimidine derivatives and related compounds for the treatment of cancer
  申请人：Japan Tobacco, Inc.

  公开号：EP2298768B1

  公开（公告）日：2012-11-14
• PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF
  申请人：Japan Tobacco Inc.

  公开号：US20180273531A1

  公开（公告）日：2018-09-27

  The present invention relates to a pyrimidine compound or a pharmaceutically acceptable salt thereof represented by the following formula [I] wherein each symbol is as defined in the specification and a method of therapeutically or prophylactically treating an undesirable cell proliferation, comprising administering such a compound. The compound of the present invention has superior activity in suppressing undesirable cell proliferation, particularly, an antitumor activity, and is useful as an antitumor agent for the prophylaxis or treatment of cancer, rheumatism, and the like. In addition, the compound of the present invention can be a more effective antitumor agent when used in combination with other antitumor agents such as an alkylating agent or metabolism antagonist.
• Chatterjee; Anand, Journal Of Scientific and Industrial Research, 1958, vol. 17 B, p. 63,68
  作者：Chatterjee、Anand

  DOI：——

  日期：——