2-amino-9-[(1S,6R,8R,10S,15R,17R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,12-dihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one | 60307-63-3

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - （3'->5'）-二核苷酸和类似物
• 英文名称: 2-amino-9-[(1S,6R,8R,10S,15R,17R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,12-dihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one
• 英文别名: 2-amino-9-[(1S,6R,8R,10S,15R,17R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,12-dihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one
• CAS: 60307-63-3
• 化学式: C₂₀H₂₄N₁₀O₁₂P₂
• 分子量: 658.418
• InChiKey: AUNAGJOXGMZWKZ-WGWHJZDNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.8
• 重原子数：
  44
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  301
• 氢给体数：
  6
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  2'-脱氧鸟苷 5'-(四氢三磷酸酯) 在 sodium chloride 、 magnesium chloride 作用下， 以 aq. buffer 为溶剂， 生成 2-amino-9-[(1S,6R,8R,10S,15R,17R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,12-dihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one
  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

• DC-SIGN ANTIBODY CONJUGATES COMPRISING STING AGONISTS
  申请人：NOVARTIS AG

  公开号：US20210170043A1

  公开（公告）日：2021-06-10

  Provided herein are immunoconjugates comprising an anti-DC-SIGN antibody conjugated to a STING agonist. Also disclosed are methods of making the immunoconjugates and methods of treating cancer using the immunoconjugates.