3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carbaldehyde | 4921-54-4

• 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: 3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carbaldehyde
• 英文别名: Theobromin-8-carboxaldehyd；Theobromin-carbaldehyd-(8)；Theobromin-8-carbaldehyd；Theobromin-aldehyd-(8)；8-Theobromin-aldehyd；3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carbaldehyde；3,7-dimethyl-2,6-dioxopurine-8-carbaldehyde
• CAS: 4921-54-4
• 化学式: C₈H₈N₄O₃
• mdl: MFCD02167636
• 分子量: 208.177
• InChiKey: CPYUSVWJDYXCEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  84.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-丙烯基洛丹宁 、 3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carbaldehyde 在 哌啶 作用下， 以 甲醇 为溶剂， 生成 8-(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione
  参考文献：
  名称：

  The condensation of caffeine-, isocaffeine-, and theobromine-8-aldehydes with rhodanines

  摘要：

  DOI：

  10.1007/bf00470255

文献信息

• Bi-functional complexes and methods for making and using such complexes
  申请人：Gouliaev Alex Haahr

  公开号：US11225655B2

  公开（公告）日：2022-01-18

  The present invention is directed to a method for the synthesis of a bi-functional complex comprising a molecule part and an identifier oligonucleotide part identifying the molecule part. A part of the synthesis method according to the present invention is preferably conducted in one or more organic solvents when a nascent bi-functional complex comprising an optionally protected tag or oligonucleotide identifier is linked to a solid support, and another part of the synthesis method is preferably conducted under conditions suitable for enzymatic addition of an oligonucleotide tag to a nascent bi-functional complex in solution.

  本发明涉及一种合成双功能复合物的方法，该复合物包括分子部分和识别分子部分的识别寡核苷酸部分。根据本发明的合成方法的一部分优选在一种或多种有机溶剂中进行，此时包含可选保护标签或寡核苷酸标识符的新生双功能复合物与固体支持物相连接，合成方法的另一部分优选在适合于将寡核苷酸标签酶加到溶液中的新生双功能复合物的条件下进行。
• Lugovkin,B.P., Journal of general chemistry of the USSR, 1963, vol. 33, p. 3132 - 3134
  作者：Lugovkin,B.P.

  DOI：——

  日期：——
• Chaman,E.S. et al., Journal of general chemistry of the USSR, 1960, vol. 30, p. 1859 - 1864
  作者：Chaman,E.S. et al.

  DOI：——

  日期：——
• BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES
  申请人：Nuevolution A/S

  公开号：EP2558577B1

  公开（公告）日：2018-12-12
• BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES
  申请人：Gouliaev Alex Haahr

  公开号：US20130281324A1

  公开（公告）日：2013-10-24

  The present invention is directed to a method for the synthesis of a bi-functional complex comprising a molecule part and an identifier oligonucleotide part identifying the molecule part. A part of the synthesis method according to the present invention is preferably conducted in one or more organic solvents when a nascent bi-functional complex comprising an optionally protected tag or oligonucleotide identifier is linked to a solid support, and another part of the synthesis method is preferably conducted under conditions suitable for enzymatic addition of an oligonucleotide tag to a nascent bi-functional complex in solution.