6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-9H-purine | 5987-73-5

• 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: 6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-9H-purine
• 英文别名: [3,4-diacetyloxy-5-(6-chloropurin-9-yl)oxolan-2-yl]methyl acetate
• CAS: 5987-73-5
• 化学式: C₁₆H₁₇ClN₄O₇
• 分子量: 412.787
• InChiKey: INOTYVPMBNDAFK-UHFFFAOYSA-N

物化性质

• 熔点：
  161-162°C
• 沸点：
  560.9±60.0 °C(Predicted)
• 密度：
  1.62±0.1 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿、甲醇（少量）

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  28
• 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：
  132
• 氢给体数：
  0
• 氢受体数：
  10

安全信息

• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-9H-purine 以71的产率得到6-Chloro-2-nitro-9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)-9H-purine
  参考文献：
  名称：

  Tetrahedron Letters. 2000, 41, 1291-1295

  摘要：

  DOI：

文献信息

• Probe for imaging PARP-1 activity
  申请人：The Board of Trustees of the Leland Stanford Junior University

  公开号：US10196412B2

  公开（公告）日：2019-02-05

  Provided are embodiments of a small molecule tracer for positron emission tomography (PET) imaging of the enzyme activity of PARP-1 that is responsible for DNA-damage sensing and critically involved in radiation therapy and some chemotherapy response mechanisms. These PARP-1 tracers are derivatives of nicotinamide adenine dinucleotide (NAD), which is the natural substrate for PARP-1. Provided are NAD derivatives that include a linker moiety to which may be attached a label moiety such as a PET detectable fluorine to generate a 6N-(triazo-PEG2-18F)-NAD. Especially advantageous for use in PET and MRI scanning detection systems is the attachment of a chelating agent that allows for the formation of a chelator-metal ion complex.

  本发明提供了一种小分子示踪剂的实施方案，用于对 PARP-1 的酶活性进行正电子发射断层扫描（PET）成像，PARP-1 负责 DNA 损伤感应，并严重参与放射治疗和某些化疗反应机制。这些 PARP-1 示踪剂是烟酰胺腺嘌呤二核苷酸（NAD）的衍生物，NAD 是 PARP-1 的天然底物。所提供的 NAD 衍生物包括一个连接基团，该连接基团可连接一个标签基团，如 PET 可检测的氟，从而生成 6N-(三氮杂-PEG2-18F)-NAD。在 PET 和 MRI 扫描检测系统中使用时，特别有利的是附加螯合剂，以形成螯合剂-金属离子复合物。
• TRIACETYL-3-HYDROXYPHENYLADENOSINE AND ITS USE FOR REGULATING BLOOD FAT
  申请人：Institute of Mataria Medica, Chinese Academy of Medical Sciences

  公开号：EP2407474B1

  公开（公告）日：2013-08-14
• Chemoselective Perfluoromethylation of Thio- and Selenoamides
  作者：Xianhong Xu、Jianyu Zhang、Tao Xu

  DOI：10.1021/acs.orglett.0c03241

  日期：2020.11.6

  A chemo- and regioselective perfluoromethylation using thioamides/selenoamides (prepared one step from corresponding lactams) as starting materials has been discovered. The reaction demonstrated complementary chemoselectivity to the C-H trifluoromethylation of (hetero)arenes as well as remarkable functional group compatibility especially toward radical sensitive olefin-, alkyne-, and arylhalide-bearing substrates. The examples of perfluorothio-/selenolated drug molecules indicated application potential of this strategy in drug modification and drug-analogue preparation.
• US8435962B2
  申请人：——

  公开号：US8435962B2

  公开（公告）日：2013-05-07