6-bromo-7-methyl-7H-purine | 376628-24-9

• 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: 6-bromo-7-methyl-7H-purine
• 英文别名: 6-bromo-7-methylpurine
• CAS: 376628-24-9
• 化学式: C₆H₅BrN₄
• 分子量: 213.037
• InChiKey: PGSOWMMUOJWDST-UHFFFAOYSA-N

物化性质

• 沸点：
  345.3±45.0 °C(Predicted)
• 密度：
  1.96±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 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-溴嘌呤 、 碘甲烷 在 2,2,6,6-四甲基哌啶基氯化镁，氯化锂络合物 作用下， 以 四氢呋喃 为溶剂， 反应 20.5h， 以80%的产率得到6-bromo-7-methyl-7H-purine
  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

• Method For Preparing Methylated Amines
  申请人：Commissariat A L'Energie Atomique Et Aux Energies Alternatives

  公开号：US20150152072A1

  公开（公告）日：2015-06-04

  The present invention relates to a method for preparing methylated amines using carbon dioxide and to the use of the method for manufacturing vitamins, pharmaceutical products, glues, acrylic fibres and synthetic leathers, pesticides and fertilizers. The invention also relates to a method for manufacturing vitamins, pharmaceutical products, glues, acrylic fibres, synthetic leathers, pesticides and fertilizers, including a step of preparing methylated amines by the method according to the invention. The present invention also relates to a method for preparing marked methylated amines and to the uses thereof.

  本发明涉及一种利用二氧化碳制备甲基胺的方法，以及利用该方法制造维生素、药品、胶水、丙烯纤维和合成皮革、杀虫剂和化肥的用途。该发明还涉及一种制造维生素、药品、胶水、丙烯纤维、合成皮革、杀虫剂和化肥的方法，包括通过本发明的方法制备甲基胺的步骤。本发明还涉及一种制备标记甲基胺的方法及其用途。
• Benzophenones as inhibitors of IL-1beta and TNF-alpha
  申请人：——

  公开号：US20020016347A1

  公开（公告）日：2002-02-07

  Heteroaryl aminobenzophenones of general formula I inhibit interleukin-1&bgr; and TNF-&agr; and may therefore be useful in the therapy of inflammatory diseases and conditions.

  通式为I的杂环氨基苯酮抑制白细胞介素-1β和TNF-α，因此可能在治疗炎症性疾病和状况中有用。
• Reactivity of 6-Halopurine Analogs with Glutathione as a Radiotracer for Assessing Function of Multidrug Resistance-Associated Protein 1
  作者：Toshimitsu Okamura、Tatsuya Kikuchi、Kiyoshi Fukushi、Toshiaki Irie

  DOI：10.1021/jm901332c

  日期：2009.11.26

  6-Bromo-7-[C-11]methylpurine is reported to react with glutathione via glutathione S-transferases in the brain and to be converted into a substrate for multidrug resistance-associated protein 1 (MRP1), an efflux pump. The compound with a rapid conversion rate allows quantitative assessment of MRP1 function, but this rate is probably susceptible to interspecies differences. Hence, for application to different species, including humans, it is necessary to adjust the conversion rate by modifying the chemical structure. We therefore designed 6-Halo-9-(or 7)-[C-14]methylpurine (halogen: F, Cl, Br, or I), and evaluated them in vitro with respect to enzymatic reactivity with glutathione using brain homogenates from the mouse, rat, or monkey. There was a marked difference in reactivity between these species. Changes in the position of the methyl group and halogen on N-methyl-6-halopurine provided various compounds possessing wide-ranging reactivity with glutathione. In conclusion, the adjustment of reactivity of 6-bromo-7-[C-11]methylpurine may allow assessment of MRP1 function in the brain in various species.
• BENZOPHENONES AS INHIBITORS OF IL-1$g(b) AND TNF-$g(a)
  申请人：Leo Pharma A/S

  公开号：EP1289958A2

  公开（公告）日：2003-03-12
• US6432962B2
  申请人：——

  公开号：US6432962B2

  公开（公告）日：2002-08-13