6,7-二甲基-7H-嘌呤 | 66122-65-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 中文名称: 6,7-二甲基-7H-嘌呤
• 英文名称: 6, 7-dimethyl-7H-purine
• 英文别名: 6,7-Dimethylpurin；6,7-Dimethyl-7H-purine；6,7-dimethylpurine
• CAS: 66122-65-4
• 化学式: C₇H₈N₄
• 分子量: 148.167
• InChiKey: HRPZEUFJNWEVQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  6-甲基嘌呤 、 碘甲烷 在 甲基氯化镁 作用下， 以 四氢呋喃 为溶剂， 反应 30.5h， 以77%的产率得到6,7-二甲基-7H-嘌呤
  参考文献：
  名称：

  Direct, Regioselective N-Alkylation of 1,3-Azoles

  摘要：

  Regioselective N-alkylation of 1,3-azoles is a valuable transformation. Organomagnesium reagents were discovered to be competent bases to affect regioselective alkylation of various 1,3-azoles. Counterintuitively, substitution selectively occurred at the more sterically hindered nitrogen atom. Numerous examples are provided, on varying 1,3-azole scaffolds, with yields ranging from 25 to 95%.

  DOI：

  10.1021/acs.orglett.5b02994

文献信息

• [EN] ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS D'ECTONUCLÉOTIDE PYROPHOSPHATASE-PHOSPHODIESTÉRASE 1 (ENPP1) ET LEURS UTILISATIONS
  申请人：INTEGRAL BIOSCIENCES PRIVATE LTD

  公开号：WO2022091048A1

  公开（公告）日：2022-05-05

  The present invention discloses compounds useful in treatment of conditions associated with dysfunction of ectonucleotide pyrophosphatase / phosphodiesterase-1 (ENPP1) enzyme. Specifically, the present invention discloses compound of formula (J) which exhibit inhibitory activity against ENPP1. Method of treating conditions associated with over-expression of ENPP1 gene with such compound is disclosed. Uses thereof, pharmaceutical composition, and kits are also disclosed.

  本发明揭示了在治疗与外核苷酸焦磷酸酶/磷酸二酯酶-1 (ENPP1)酶功能障碍相关的疾病中有用的化合物。具体而言，本发明揭示了公式（J）的化合物，这些化合物表现出对ENPP1的抑制活性。揭示了使用这种化合物治疗与ENPP1基因过度表达相关的疾病的方法。还揭示了其用途、制药组合物和试剂盒。
• BARAK, A.;AGRANAT, I., NOUV. J. CHIM., 1981, 5, N 10, 491-494
  作者：BARAK, A.、AGRANAT, I.

  DOI：——

  日期：——
• Direct, Regioselective <i>N</i>-Alkylation of 1,3-Azoles
  作者：Shuai Chen、Russell F. Graceffa、Alessandro A. Boezio

  DOI：10.1021/acs.orglett.5b02994

  日期：2016.1.4

  Regioselective N-alkylation of 1,3-azoles is a valuable transformation. Organomagnesium reagents were discovered to be competent bases to affect regioselective alkylation of various 1,3-azoles. Counterintuitively, substitution selectively occurred at the more sterically hindered nitrogen atom. Numerous examples are provided, on varying 1,3-azole scaffolds, with yields ranging from 25 to 95%.