caffeine methiodide

• 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: caffeine methiodide
• 英文别名: 1,3,7,9-tetramethyl-8,9-dihydropurin-9-ium-2,6-dione;iodide
• 化学式: C₉H₁₄N₄O₂*HI
• 分子量: 338.148
• InChiKey: SGKAOZHNBSHDJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.9
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  48.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  咖啡因 、 碘甲烷 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 以79%的产率得到caffeine methiodide
  参考文献：
  名称：

  咖啡因甲硫醚的新合成及其同系物

  摘要：

  DOI：

  10.1007/bf00481539

文献信息

• Metal complexes of N-heterocyclic carbenes as radiopharmaceuticals and antibiotics
  申请人：Youngs Wiley

  公开号：US20070021401A1

  公开（公告）日：2007-01-25

  A method for inhibiting microbial growth comprises administering an effective amount of a silver complex of a N-heterocyclic amine. A method for treating cancer cells or a method for imaging one or more tissues of a patient includes administering an effective amount of a complex of a N-heterocyclic amine and a radioactive metal. A method for treating urinary tract infections utilizing silver complexes of N-heterocyclic carbenes. N-heterocyclic carbenes of the present invention may be represented by the formula wherein Z is a heterocyclic group, and R 1 and R 2 are, independently or in combination, hydrogen or a C 1 -C 12 organic group selected from the group consisting of alkyl, cycloalkyl, alkenyl, cycloalkenyl, alkynyl, aryl, arylalkyl, alkylaryl, heterocyclic, and alkoxy groups and substituted derivatives thereof.

  一种抑制微生物生长的方法包括给予有效量的N-杂环胺的银络合物。一种治疗癌细胞或成像患者一个或多个组织的方法包括给予有效量的N-杂环胺和放射性金属的络合物。一种利用N-杂环卡宾银络合物治疗尿路感染的方法。本发明的N-杂环卡宾可以用以下式表示，其中Z是杂环基，而R1和R2是独立或组合的氢或选择自烷基、环烷基、烯基、环烯基、炔基、芳基、芳基烷基、烷基芳基、杂环和烷氧基和其取代衍生物的C1-C12有机基。
• Metal Complexes of N-Heterocyclic Carbenes as Radiopharmaceuticals and Antibiotics
  申请人：Youngs Wiley J.

  公开号：US20080267867A1

  公开（公告）日：2008-10-30

  A method for inhibiting microbial growth comprises administering an effective amount of a silver complex of a N-heterocyclic amine. A method for treating cancer cells or a method for imaging one or more tissues of a patient includes administering an effective amount of a complex of a N-heterocyclic amine and a radioactive metal. N-heterocyclic carbenes of the present invention may be represented by formula (I) wherein Z is a heterocyclic group, and R 1 and R 2 are, independently or in combination, hydrogen or a C 1 -C 12 organic group selected from the group consisting of alkyl, cycloalkyl, alkenyl, cycloalkenyl, alkynyl, aryl, arylalkyl, alkylaryl, heterocyclic, and alkoxy groups and substituted derivatives thereof.

  一种抑制微生物生长的方法包括给予一种N-杂环胺的银络合物有效量。一种治疗癌细胞或成像患者的一个或多个组织的方法包括给予一种N-杂环胺和放射性金属的络合物有效量。本发明的N-杂环卡宾可以用式(I)表示，其中Z是一个杂环基团，R1和R2独立或组合地是氢或C1-C12有机基团，所述有机基团选自烷基，环烷基，烯基，环烯基，炔基，芳基，芳基烷基，烷基芳基，杂环和其取代衍生物。
• METAL COMPLEXES OF N-HETEROCYCLIC CARBENES AS RADIOPHARMACEUTICALS AND ANTIBIOTICS
  申请人：The University of Akron

  公开号：EP1660444A2

  公开（公告）日：2006-05-31
• EP1660444A4
  申请人：——

  公开号：EP1660444A4

  公开（公告）日：2007-12-26
• METAL COMPLEXES OF N-HETEROCYCLIC CARBENES
  申请人：YOUNGS Wiley J.

  公开号：US20110086830A1

  公开（公告）日：2011-04-14

  The present invention generally relates to metal complexes of N-heterocyclic carbenes that contain one or more additional active moieties and/or groups therein. In one embodiment, the present invention relates to metal complexes of N-heterocyclic carbenes that contain an anti-fungal and/or anti-microbial moiety and/or group in combination with one or more additional active moieties and/or groups selected from fluoroquinolone compounds or derivatives thereof; steroids or derivatives thereof; anti-inflammatory compounds or derivatives thereof; anti-fungal compounds or derivatives thereof; anti-bacterial compounds or derivatives thereof; antagonist compounds or derivatives thereof; H 2 receptor compounds or derivatives thereof; chemotherapy compounds or derivatives thereof; tumor suppressor compounds or derivatives thereof; or C 1 to C 16 alkyl heteroatom groups where the heterotatom is selected from S, O, or N. In still another embodiment, the present invention relates to metal complexes of N-heterocyclic carbenes that contain an anti-fungal and/or anti-microbial moiety and/or group in combination with two or more additional active moieties and/or groups selected from fluoroquinolone compounds or derivatives thereof; steroids or derivatives thereof; anti-inflammatory compounds or derivatives thereof; anti-fungal compounds or derivatives thereof; anti-bacterial compounds or derivatives thereof; antagonist compounds or derivatives thereof; H 2 receptor compounds or derivatives thereof; chemotherapy compounds or derivatives thereof; tumor suppressor compounds or derivatives thereof; or C 1 to C 16 alkyl heteroatom groups where the heterotatom is selected from S, O, or N.