[(2R,3S,4R,5R)-5-(6-氨基嘌呤-9-基)-3,4-二羟基四氢呋喃-2-基]甲基二羟基硫代膦酰磷酸氢酯 | 35094-45-2

• 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: [(2R,3S,4R,5R)-5-(6-氨基嘌呤-9-基)-3,4-二羟基四氢呋喃-2-基]甲基二羟基硫代膦酰磷酸氢酯
• 英文名称: adenosine-5'-O-(2-thiodiphosphate)
• 英文别名: ADPβS；ADPbetaS；[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydroxyphosphinothioyl hydrogen phosphate
• CAS: 35094-45-2
• 化学式: C₁₀H₁₅N₅O₉P₂S
• 分子量: 443.271
• InChiKey: HCIKUKNAJRJFOW-KQYNXXCUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.9
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  248
• 氢给体数：
  6
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  [(2R,3S,4R,5R)-5-(6-氨基嘌呤-9-基)-3,4-二羟基四氢呋喃-2-基]甲基二羟基硫代膦酰磷酸氢酯 、 chromium chloride hexahydrate 以 水 为溶剂， 以20%的产率得到α,β-bidentate Cr(H2O)4ADPβS
  参考文献：
  名称：

  Synthesis and stereochemical analysis of exchange-inert chromium(III) complexes of adenosine 5'-O-(2-thiodiphosphate), adenosine 5'-O-(2-thiotriphosphate), and adenosine 5'-O-(3-thiotriphosphate). Generation of a new class of chiral enzyme active site probes

  摘要：

  DOI：

  10.1021/ja00211a040
• 作为产物：
  描述：

  5'-腺嘌呤核苷酸 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium periodate 、 hydroxide 、 氯磷酸二苯酯 作用下， 生成 [(2R,3S,4R,5R)-5-(6-氨基嘌呤-9-基)-3,4-二羟基四氢呋喃-2-基]甲基二羟基硫代膦酰磷酸氢酯
  参考文献：
  名称：

  On the mechanism of T4 RNA ligase

  摘要：

  DOI：

  10.1021/ja00393a047

文献信息

• Dinucleoside poly(borano)phosphate derivatives and uses thereof
  申请人：Fischer Bilha

  公开号：US20060287271A1

  公开（公告）日：2006-12-21

  Dinucleoside poly(borano)phosphates are provided that can be useful for prevention or treatment of diseases or disorders modulated by P2Y receptors such as type 2 diabetes, cystic fibtosis and cancer.

  提供了二核苷多聚（硼）磷酸盐，可用于预防或治疗由P2Y受体调节的疾病或障碍，如2型糖尿病、囊性纤维化和癌症。
• [EN] NON-HYDROLYZABLE NUCLEOSIDE DI- OR TRI-PHOSPHATE DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS DE NUCLÉOSIDES DI- OU TRI-PHOSPHATES NON HYDROLYSABLES ET LEURS UTILISATIONS
  申请人：UNIV BAR ILAN

  公开号：WO2009066298A1

  公开（公告）日：2009-05-28

  The invention provides non-hydrolyzable nucleoside polyphosphate derivatives, e.g., 2MeS-adenosine- β,γ-CH2-5'-O-(1-boranotriphosphate), 2MeS-adenosine- β,γ-CC12-5'-O-(1-boranotriphosphate), 2-MeS-adenosine-5'-dichloro methylene-diphosphate, 2-MeS-adenosine-5'-difluoromethylene- diphosphate and 2MeS-adenosine-5'-O-(1-boranodiphosphate), as well as pharmaceutical compositions thereof. These compounds are useful for prevention or treatment of diseases or disorders modulated by P2Y-receptors such as type 2 diabetes, and for pain control.

  该发明提供了非水解核苷酸多聚物衍生物，例如2MeS-腺苷-β，γ-CH2-5'-O-(1-硼酸三磷酸盐)、2MeS-腺苷-β，γ-CC12-5'-O-(1-硼酸三磷酸盐)、2-MeS-腺苷-5'-二氯甲基二磷酸盐、2-MeS-腺苷-5'-二氟甲基二磷酸盐和2MeS-腺苷-5'-O-(1-硼二磷酸盐)，以及其制备的药物组合物。这些化合物对于预防或治疗由P2Y受体调节的疾病或紊乱，如2型糖尿病，以及疼痛控制非常有用。
• Natural ligand for orphan G protein coupled receptor GPR86 and methods of use
  申请人：——

  公开号：US20030050235A1

  公开（公告）日：2003-03-13

  The present invention is related to a recombinant cell expressing a nucleotide sequence encoding a G protein coupled receptor having an amino acid sequence which presents more than 70% sequence identity with SEQ ID.NO.1 as well as to a drug screening method and kit using the orphan G protein coupled receptor GPR86, identified hereafter as receptor for ADP (P2Y 13 ) and a homologous sequence, the corresponding polynucleotide and said recombinant cell to identify agonist, inverse agonist and antagonist compounds applicable to a diagnostic, prevention and/or treatment of various diseases and disorders.

  本发明涉及一种表达编码 G 蛋白偶联受体的核苷酸序列的重组细胞，该 G 蛋白偶联受体的氨基酸序列与 SEQ ID.NO.1 的序列同一性超过 70%，本发明还涉及一种药物筛选方法和试剂盒，该试剂盒使用孤儿 G 蛋白偶联受体 GPR86（以下简称为 ADP（P2Y）受体）。 13 )和同源序列、相应的多核苷酸和所述重组细胞来鉴定适用于诊断、预防和/或治疗各种疾病和紊乱的激动剂、反向激动剂和拮抗剂化合物的药物筛选方法和试剂盒。
• Natural ligand of orphan G protein coupled receptor GPR86 and methods of use
  申请人：——

  公开号：US20040005629A1

  公开（公告）日：2004-01-08

  The present invention is related to a recombinant cell expressing a nucleotide sequence encoding a G protein coupled receptor having an amino acid sequence which presents more than 70% sequence identity with SEQ ID.NO. 1 as well as to a drug screening method and kit using the orphan G protein coupled receptor GPR86, identified hereafter as receptor for ADP (P2Y 13 ) and a homologous sequence, the corresponding polynucleotide and said recombinant cell to identify agonist, inverse agonist and antagonist compounds applicable to a diagnostic, prevention and/or treatment of various diseases and disorders.

  本发明涉及一种表达编码G蛋白偶联受体的核苷酸序列的重组细胞，该G蛋白偶联受体的氨基酸序列与SEQ ID.NO.1 的氨基酸序列的重组细胞，以及使用孤儿 G 蛋白偶联受体 GPR86（以下简称为 ADP 受体（P2Y 13 )和同源序列、相应的多核苷酸和所述重组细胞来鉴定适用于诊断、预防和/或治疗各种疾病和紊乱的激动剂、反向激动剂和拮抗剂化合物的药物筛选方法和试剂盒。
• Nucleotide regulation of immune responses
  申请人：Granstein D. Richard

  公开号：US20050053612A1

  公开（公告）日：2005-03-10

  The invention provides purine receptor agonists and antagonists that are useful for modulating an immune response in an animal. Methods for modulating an inmmune response in an animal are also provided.

  本发明提供了可用于调节动物免疫反应的嘌呤受体激动剂和拮抗剂。本发明还提供了调节动物免疫反应的方法。