Inosin-2-sulfonsaeure | 13391-49-6

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: Inosin-2-sulfonsaeure
• 英文别名: 6-oxo-9-β-D-ribofuranosyl-6,9-dihydro-1H-purine-2-sulfonic acid；Inosine 2-sulfonic acid；9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purine-2-sulfonic acid
• CAS: 13391-49-6
• 化学式: C₁₀H₁₂N₄O₈S
• 分子量: 348.293
• InChiKey: BVEFEAIHTKJQPT-UUOKFMHZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.9
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  192
• 氢给体数：
  5
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  Inosin-2-sulfonsaeure 生成 N2-甲基鸟苷
  参考文献：
  名称：

  DARZYNKIEWICZ, EDWARD;STEPINSKI, JANUSZ;TAHARA, STANLEY M.;STOLARSKI, RYS+, NUCLEOSIDES AND NUCLEOTIDES, 9,(1990) N, C. 599-618

  摘要：

  DOI：
• 作为产物：
  描述：

  2-Mercaptoinosin 生成 Inosin-2-sulfonsaeure
  参考文献：
  名称：

  DARZYNKIEWICZ, EDWARD;STEPINSKI, JANUSZ;TAHARA, STANLEY M.;STOLARSKI, RYS+, NUCLEOSIDES AND NUCLEOTIDES, 9,(1990) N, C. 599-618

  摘要：

  DOI：

文献信息

• Analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation
  申请人：Naccari Giancarlo

  公开号：US20090258837A1

  公开（公告）日：2009-10-15

  The invention relates to analogous compounds of 6-thioguanosine triphosphate of general formula (I). A compound of the general formula (I); wherein the dashed bond in the sugar moiety can be either single or double and wherein R1, R2, R3, R4 or R5, equal or different between each other, have general formula -(Int) m -Ter, wherein m is between 0 and 12 and Int and Ter are Internal and Terminal building blocks, wherein Int is selected from the group consisting of formula (II); and Ter is selected from the group consisting of formula (III). And wherein X represents either carbon or nitrogen atom within aromatic ring, Y represents either oxygen or sulphur atom and an additional group Q, group Qi or groups Qi (Qi indicates that the group or several groups may be bound to any unsaturated moiety of the ring) are selected from the group consisting of —OH, —COOH, —N(CH 3 ) 2 , —N(CH 2 —CH 3 ) 2 |—CO—CH 3 , —CO—O—CH 3 , —O—CH 3 , —S—CH 3 , —SO 2 —CH 3 , —CN, —NO 2 or -Halogen elements, and wherein R5 may be formula (IV) and metal and ammonium salts thereof, wherein n is between O and 5, or oxygen or phosphorus is partially or completely replaced by nitrogen, sulphur, methyleno groups or their derivatives. The invention also concerns the uses of the above mentioned compounds in medical field and the process for their preparation.

  本发明涉及6-硫鸟嘌呤三磷酸类似化合物，其通式为(I)。通式(I)的化合物中，糖基中的虚线键可以是单键或双键，其中R1、R2、R3、R4或R5，相互之间相同或不同，具有通式-(Int)m-Ter，其中m在0到12之间，Int和Ter是内部和末端构建块，其中Int从公式(II)所示的群组中选择；Ter从公式(III)所示的群组中选择。其中X代表芳香环内的碳或氮原子，Y代表氧或硫原子，以及附加基团Q、Qi基团或Qi基团（Qi表示该基团或若干基团可以结合到环的任何不饱和基团上）从以下群组中选择：—OH、—COOH、—N（CH3）2、—N（CH2— ）2、—CO— 、—CO—O— 、—O— 、—S— 、—SO2— 、—CN、—NO2或卤素元素，其中R5可以是公式(IV)及其金属和铵盐，其中n在0到5之间，或氧或磷部分或完全被氮、硫、亚甲基基团或其衍生物所取代。本发明还涉及上述化合物在医学领域中的用途以及它们的制备方法。
• Analogous Compounds of 6-Thioguanosine Triphosphate, their use in Medical Fields and Processes for their Preparation
  申请人：Naccari Giancarlo

  公开号：US20120094948A1

  公开（公告）日：2012-04-19

  The invention relates to analogous compounds of 6-thioguanosine triphosphate of general formula (I). A compound of the general formula (I); wherein the dashed bond in the sugar moiety can be either single or double and wherein R1, R2, R3, R4 or R5, equal or different between each other, have general formula -(Int) m -Ter, wherein m is between 0 and 12 and Int and Ter are Internal and Terminal building blocks, wherein Int is selected from the group consisting of formula (II); and Ter is selected from the group consisting of formula (III). And wherein X represents either carbon or nitrogen atom within aromatic ring, Y represents either oxygen or sulphur atom and an additional group Q, group Qi or groups Qi (Qi indicates that the group or several groups may be bound to any unsaturated moiety of the ring) are selected from the group consisting of —OH, —COOH, —N(CH 3 ) 2 , —N(CH 2 —CH 3 ) 2 |—CO—CH 3 , —CO—O—CH 3 , —O—CH 3 , —S—CH 3 , —SO 2 —CH 3 , —CN, —NO 2 or -Halogen elements, and wherein R5 may be formula (IV) and metal and ammonium salts thereof, wherein n is between O and 5, or oxygen or phosphorus is partially or completely replaced by nitrogen, sulphur, methyleno groups or their derivatives. The invention also concerns the uses of the above mentioned compounds in medical field and the process for their preparation.

  本发明涉及6-硫鸟嘌呤三磷酸的类似物化合物，其通式为（I）。通式（I）的化合物；其中糖基中的虚线键可以是单键或双键，其中R1、R2、R3、R4或R5，在彼此之间相等或不同，具有通式-(Int)m-Ter，其中m在0到12之间，Int和Ter是内部和末端构建块，其中Int选择自公式（II）所示的一组；Ter选择自公式（III）所示的一组。其中X表示芳香环中的碳或氮原子，Y表示氧或硫原子，另外的基团Q、基团Qi或基团Qi（Qi表示该基团或几个基团可以与环的任何不饱和基团结合）选择自-OH、-COOH、-N（CH3）2、-N（CH2- ）2| -CO- 、-CO-O- 、-O- 、-S- 、-SO2- 、-CN、-NO2或卤素元素等一组，其中R5可以是公式（IV）及其金属和铵盐，其中n在0到5之间，或氧或磷部分或完全被氮、硫、亚甲基基团或其衍生物所取代。本发明还涉及上述化合物在医学领域中的用途以及它们的制备方法。
• Improvements to analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation
  申请人：Naccari Giancarlo

  公开号：US20100323980A9

  公开（公告）日：2010-12-23

  The invention relates to analogous compounds of 6-thioguanosine triphosphate of general formula (I). A compound of the general formula (I); wherein the dashed bond in the sugar moiety can be either single or double and wherein R1, R2, R3, R4 or R5, equal or different between each other, have general formula -(Int) m -Ter, wherein m is between 0 and 12 and Int and Ter are Internal and Terminal building blocks, wherein Int is selected from the group consisting of formula (II); and Ter is selected from the group consisting of formula (III). And wherein X represents either carbon or nitrogen atom within aromatic ring, Y represents either oxygen or sulphur atom and an additional group Q, group Qi or groups Qi (Qi indicates that the group or several groups may be bound to any unsaturated moiety of the ring) are selected from the group consisting of —OH, —COOH, —N(CH 3 ) 2 , —N(CH 2 —CH 3 ) 2 |—CO—CH 3 , —CO—O—CH 3 , —O—CH 3 , —S—CH 3 , —SO 2 —CH 3 , —CN, —NO 2 or -Halogen elements, and wherein R5 may be formula (IV) and metal and ammonium salts thereof, wherein n is between O and 5, or oxygen or phosphorus is partially or completely replaced by nitrogen, sulphur, methyleno groups or their derivatives. The invention also concerns the uses of the above mentioned compounds in medical field and the process for their preparation.

  本发明涉及6-硫鸟苷三磷酸的类似化合物，其通式为（I）。通式（I）的化合物中，糖基中的虚线键可以是单键或双键，其中R1，R2，R3，R4或R5，在彼此之间相等或不同，具有通式-(Int)m-Ter，其中m介于0和12之间，Int和Ter是内部和终端构建块，其中Int从公式（II）所示的群中选择；Ter从公式（III）所示的群中选择。其中X表示芳香环中的碳或氮原子，Y表示氧或硫原子，以及额外的基团Q，基团Qi或基团Qi（Qi表示该基团或若干基团可以结合到环的任何不饱和部分）从以下群中选择：—OH，—COOH，—N（CH3）2，—N（CH2— ）2|—CO— ，—CO—O— ，—O— ，—S— ，—SO2— ，—CN，—NO2或-卤素元素，其中R5可以是公式（IV）及其金属和铵盐，其中n介于O和5之间，或氧或磷部分或完全被氮，硫，亚甲基基团或其衍生物所取代。本发明还涉及上述化合物在医学领域中的用途以及其制备方法。
• US8114986B2
  申请人：——

  公开号：US8114986B2

  公开（公告）日：2012-02-14
• US8440812B2
  申请人：——

  公开号：US8440812B2

  公开（公告）日：2013-05-14