(3S,8S,9S,10R,13S,14S,17R)-10,13-二甲基-17-[(1S)-1-甲基-2-羰基-2-(芘-1-基甲氧基)乙基]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-十四氢-1H-环戊二烯并[a]菲-3-基(9E)-十八碳-9-烯酸酯(non-preferredname) | 72490-81-4

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷酸
• 中文名称: (3S,8S,9S,10R,13S,14S,17R)-10,13-二甲基-17-[(1S)-1-甲基-2-羰基-2-(芘-1-基甲氧基)乙基]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-十四氢-1H-环戊二烯并[a]菲-3-基(9E)-十八碳-9-烯酸酯(non-preferredname)
• 英文名称: 9-β-D-arabinofuranosylguanine-5'-triphosphate
• 英文别名: Ara-GTP；9-beta-D-Arabinofuranosylguanosine 5'-triphosphate；[[(2R,3S,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
• CAS: 72490-81-4
• 化学式: C₁₀H₁₆N₅O₁₄P₃
• 分子量: 523.183
• InChiKey: XKMLYUALXHKNFT-FJFJXFQQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.5
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  295
• 氢给体数：
  8
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  (3S,8S,9S,10R,13S,14S,17R)-10,13-二甲基-17-[(1S)-1-甲基-2-羰基-2-(芘-1-基甲氧基)乙基]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-十四氢-1H-环戊二烯并[a]菲-3-基(9E)-十八碳-9-烯酸酯(non-preferredname) 在 sodium chloride 、 magnesium chloride 作用下， 以 aq. buffer 为溶剂， 生成
  参考文献：
  名称：

  Enzymatic synthesis of 2′-ara and 2′-deoxy analogues of c-di-GMP

  摘要：

  The substrate specificity of recombinant full-length diguanylate cyclase (DGC) of Thermotoga maritima with mutant allosteric site was investigated. It has been originally shown that the enzyme could use GTP closest analogues - 2 '-deoxyguanosine-5 '-triphosphate (dGTP) and 9-beta-D-arabinofuranosyl-guanine-5 '-triphosphate (araGTP) as the substrates. The first demonstrations of an enzymatic synthesis of bis-(3 '-5 ')-cyclic dimeric deoxyguanosine monophosphate (c-di-dGMP) and the previously unknown bis-(3 '-5 ')-cyclic dimeric araguanosine monophosphate (c-di-araGMP) using DGC of T. maritima in the form of inclusion bodies have been provided.

  DOI：

  10.1080/15257770.2015.1006775

文献信息

• Methods for inhibiting protein kinases in cancer cells
  申请人：REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US20040096436A1

  公开（公告）日：2004-05-20

  The present invention provides methods of treating cancer using inhibitors of protein kinases. The inhibitors of protein kinases are combined with agents that inhibit a cellular ATP synthetic pathway. Inhibitors of ATP synthesis include inhibitors of de novo purine biosynthesis, inhibitors of the salvage pathway of ATP biosynthesis, and inhibitors of the enzyme inosine monophosphate dehydrogenase.
• Uses for inhibitors of inosine monophosphate dehydrogenase
  申请人：REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US20040127435A1

  公开（公告）日：2004-07-01

  The present invention provides methods of treating cancer using inhibitors of inosine monophosphate dehydrogenase (IMPDH). The IMPDH inhibitors are combined with compounds that inhibit cellular processes regulated by GTP or ATP. Also provided are prodrugs of the IMPDH inhibitor mizoribine and its aglycone. The prodrugs are useful in practicing the methods of the invention, including immunosuppressive therapy and treatment of cancer by prolonged administration without additional therapeutic compounds.
• [EN] THERAPEUTIC INHIBITIONOF PROTEIN KINASES IN CANCER CELLS<br/>[FR] INHIBITION THERAPEUTIQUE DES PROTEINES KINASES DANS DES CELLULES CANCEREUSES
  申请人：UNIV CALIFORNIA

  公开号：WO2004012769A1

  公开（公告）日：2004-02-12

  The present invention provides methods of treating cancer using inhibitors of protein kinases. The inhibitors of protein kinases are combined with agents that inhibit a cellular ATP synthetic pathway. Inhibitors of ATP synthesis include inhibitors of de novo purine biosynthesis, inhibitors of the salvage pathway of ATP biosynthesis, and inhibitors of the enzyme inosine monophosphate dehydrogenase.
• [EN] USE OF COMPOUNDS TO INHIBIT NEOPLASIA<br/>[FR] UTILISATION DE COMPOSES POUR INHIBER LA NEOPLASIE
  申请人：ACAD OF SCIENCE CZECH REPUBLIC

  公开号：WO2006114065A2

  公开（公告）日：2006-11-02

  [EN] The invention provides the use of acyclic nucleoside phosphonates and their derivatives for the manufacture of a medicament for inhibiting an enzyme that causes neoplasia in an animal (e.g. a human).
  [FR] L'invention concerne l'utilisation de phosphonates nucléosidiques acycliques et leurs dérivés dans la fabrication d'un médicament destiné à inhiber un enzyme responsable de la néoplasie chez un animal (par exemple un humain).