2-(8-bromo-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid | 106301-65-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid
• 英文别名: (8-bromo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetic acid；(8-Brom-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-essigsaeure；2-(8-Bromo-1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
• CAS: 106301-65-9
• 化学式: C₉H₉BrN₄O₄
• 分子量: 317.099
• InChiKey: CEGJNXSAKUJVPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  95.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  ethyl 2-(8-bromo-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate 在 盐酸 作用下， 生成 2-(8-bromo-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid
  参考文献：
  名称：

  Cacace et al., Annali di Chimica, 1956, vol. 46, p. 99,102,104

  摘要：

  DOI：

文献信息

• Purine Diones As Wnt Pathway Modulators
  申请人：AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH

  公开号：US20160090386A1

  公开（公告）日：2016-03-31

  The invention relates to the use of compounds of general structure (I) in modulation of the Wnt pathway [Formula should be inserted here] wherein R 1 , R 2 , R 3 , R 4 and R 5 are each, independently, H or an alkyl group; D is selected from the group consisting of H, halogen, alkyl, cycloalkyl, aryl, and dialkylamino, each (other than H and halogen) being optionally substituted; Ar is an aryl or heteroaryl group, optionally substituted; Cy is an aryl, heteroaryl or a saturated ring containing at least one heteroatom, each being optionally substituted; and n is an integer from 1 to 3.

  本发明涉及一般结构（I）化合物在调节Wnt途径中的使用[应在此处插入公式]其中R1、R2、R3、R4和R5各自独立地为H或烷基；D从H、卤素、烷基、环烷基、芳基和二烷基氨基等中选择，除H和卤素外，每种选择都可以被选择性地取代；Ar是芳基或杂芳基，可以被选择性地取代；Cy是芳基、杂芳基或至少含有一个杂原子的饱和环，每个都可以被选择性地取代；n是1到3的整数。
• Purine diones as Wnt pathway modulators
  申请人：Agency for Science, Technology and Research

  公开号：US10472360B2

  公开（公告）日：2019-11-12

  The invention relates to the use of compounds of general structure (I) in modulation of the Wnt pathway [Formula should be inserted here] wherein R1, R2, R3, R4 and R5 are each, independently, H or an alkyl group; D is selected from the group consisting of H, halogen, alkyl, cycloalkyl, aryl, and dialkylamino, each (other than H and halogen) being optionally substituted; Ar is an aryl or heteroaryl group, optionally substituted; Cy is an aryl, heteroaryl or a saturated ring containing at least one heteroatom, each being optionally substituted; and n is an integer from 1 to 3.

  本发明涉及一般结构(I)化合物在调节 Wnt 通路中的用途[此处应插入式子] 其中 R1、R2、R3、R4 和 R5 各自独立地为 H 或烷基； D 选自 H、卤素、烷基、环烷基、芳基和二烷基氨基组成的组，每种基团（H 和卤素除外）均被任选取代；Ar 是芳基或杂芳基，任选被取代；Cy 是芳基、杂芳基或含有至少一个杂原子的饱和环，每种基团均被任选取代；以及 n 是 1 至 3 的整数。
• Serchi et al., Chimica, 1956, vol. 32, p. 375,378
  作者：Serchi et al.

  DOI：——

  日期：——
• PURINE DIONES AS WNT PATHWAY MODULATORS
  申请人：Agency for Science, Technology and Research

  公开号：EP2999699A1

  公开（公告）日：2016-03-30
• US9926320B2
  申请人：——

  公开号：US9926320B2

  公开（公告）日：2018-03-27