1-purin-9-yl-ξ-D-1-deoxy-ribofuranose | 550-33-4

• 物质功能分类: 医药中间体 - 杂环化合物
• 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: 1-purin-9-yl-ξ-D-1-deoxy-ribofuranose
• 英文别名: 7-Isonebularin,7-D-Ribofuranosylpurin；9-Ribofuranosyl purine；(2R,3S,4R)-2-(hydroxymethyl)-5-purin-9-yloxolane-3,4-diol
• CAS: 550-33-4；5614-46-0；5614-51-7；5648-39-5；5760-15-6；7595-44-0；15981-67-6
• 化学式: C₁₀H₁₂N₄O₄
• 分子量: 252.23
• InChiKey: MRWXACSTFXYYMV-JSDYZDKHSA-N

物化性质

• 熔点：
  181-182°C
• 比旋光度：
  D25 -48.6° (H2O)
• 沸点：
  395.4°C (rough estimate)
• 密度：
  1.3402 (rough estimate)
• 溶解度：
  DMSO（少量）、乙醇、甲醇（少量）

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  114
• 氢给体数：
  3
• 氢受体数：
  7

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• RTECS号：
  UO9100000
• 海关编码：
  2934999090
• 危险性防范说明：
  P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313
• 危险性描述：
  H315,H319

文献信息

• O2-arylated or O2-glycosylated 1-substituted diazen-1-ium-1,2-diolates and O2-substituted 1-[(2-carboxylato) pyrrolidin-1-yl]diazen-1-ium-1,2-diolates
  申请人：Government of the USA, the Secretary Department of Health and Human Services

  公开号：US20030147845A1

  公开（公告）日：2003-08-07

  Diazeniumdiolates, wherein the N 1 position is substituted by an inorganic or organic moiety and the O 2 -oxygen is bound to a substituted or unsubstituted aromatic group, are provided. Also provided are O 2 -glycosylated 1-substituted diazen-1-ium-1,2-diolates (O 2 -glycosylated diazeniumdiolates) and O 2 -substituted 1-[(2-carboxylato)pyrrolidin-1-yl]diazen-1-ium-1,2-diolates (1-[(2-carboxylato)pyrrolidin-1-yl]diazeniumdiolates). The O 2 -aryl diazeniumdiolates are stable with respect to the hydrolytic generation of nitric oxide in neutral to acidic solutions and generate nitric oxide in basic or nucleophilic environments or microenvironments. Also provided are compositions, including pharmaceutical compositions, comprising such compounds and methods of using such compounds.

  本发明提供了N1位置被无机或有机基团取代，且O2氧原子与取代或未取代芳香基团结合的二氧化氮酸酯。还提供了O2-糖基化的1-取代二氮-1-ium-1,2-二醇酸酯（O2-糖基化的二氮酸酯）和O2-取代的1-[(2-羧基)吡咯烷-1-基]二氮-1-ium-1,2-二醇酸酯（1-[(2-羧基)吡咯烷-1-基]二氮酸酯）。O2-芳基二氮酸酯在中性至酸性溶液中对水解产生的一氧化氮稳定，而在碱性或亲核环境或微环境中产生一氧化氮。还提供了包括制药组合物在内的此类化合物的组合物和使用此类化合物的方法。
• DIAZENIUMDIOLATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHOD OF TREATING CANCER
  申请人：The United States Of America, As Represented By The Secretary, Department of Health and Human Services

  公开号：EP2498778A1

  公开（公告）日：2012-09-19
• Method and systems for creating and screening patient metabolite profile to diagnose current medical condition, diagnose current treatment state and recommend new treatment regimen
  申请人：Kurek Itzhak

  公开号：US20190214145A1

  公开（公告）日：2019-07-11

  Disclosed are methods and systems for building a database of metabolite profiles correlated with disease states and treatment regiments, then defining an individual patient's metabolite profile, and then screening the patient's profile against the database to recommend potential effective treatment regimens.
• US4014769A
  申请人：——

  公开号：US4014769A

  公开（公告）日：1977-03-29
• US6610660B1
  申请人：——

  公开号：US6610660B1

  公开（公告）日：2003-08-26