2-deoxy-2,2-difluoro-D-arabino-hexose | 34245-90-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-deoxy-2,2-difluoro-D-arabino-hexose
• 英文别名: 2-deoxy-2,2-difluoro-D-glucose；2-DFG；2,2-difluoro-D-arabino-2-deoxy-hexose；2,2-difluoro-ξ-D-arabino-2-deoxy-hexopyranose；(4S,5S,6R)-3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol
• CAS: 34245-90-4
• 化学式: C₆H₁₀F₂O₅
• 分子量: 200.139
• InChiKey: SHBCJQOMZTUYEL-ZRMNMSDTSA-N

物化性质

• 沸点：
  392.2±42.0 °C(Predicted)
• 密度：
  1.67±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  90.2
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3,4,6-tri-O-acetyl-2-deoxy-2-fluoro-α-D-glucopyranosyl bromide 在 盐酸 、 三乙胺 作用下， 以 一氟三氯甲烷 、 乙腈 为溶剂， 反应 1.0h， 生成 2-deoxy-2,2-difluoro-D-arabino-hexose
  参考文献：
  名称：

  Synthesis and preliminary evaluation of [18F]2-deoxy-2,2-difluoro-glucose as a potential PET imaging agent

  摘要：

  DOI：

  10.1002/(sici)1099-1344(199908)42:8<809::aid-jlcr241>3.0.co;2-8

文献信息

• Inhibitors of Glycolysis Useful In the Treatment of Brain Tumors
  申请人：Priebe Waldemar

  公开号：US20110003758A1

  公开（公告）日：2011-01-06

  Provided herein are methods of treating brain tumors by administering a therapeutically effective amount of a compound of the Formulas I or II to a patient in need thereof.

  本文提供了一种通过向需要治疗的患者给予公式I或II的化合物的治疗性有效量来治疗脑肿瘤的方法。
• 2-deoxy-2,2-difluoro-D-arabino-hexose (“2,2-difluoroglucose”)
  作者：J. Adamson、A.B. Foster、J.H. Westwood

  DOI：10.1016/s0008-6215(00)80363-8

  日期：1971.6
• 13C-CP/MAS NMR studies of the cyclomalto-oligosaccharide (cyclodextrin) hydrates
  作者：Stephen J. Heyes、Nigel J. Clayden、Christopher M. Dobson

  DOI：10.1016/s0008-6215(00)90916-9

  日期：1992.9

  The C-13-Cp/MAS NMR spectra of cyclomaltohexaose (alpha-cyclodextrin) hexahydrate, cyclomaltoheptaose (beta-cyclodextrin) "undecahydrate", cyclomalto-octaose (gamma-cyclodextrin) "octadecahydrate", and of the same materials at lower levels of hydration are compared with solution NMR data, structures obtained from single crystal diffraction studies, and with previous reports of the C-13-CP/MAS NMR spectra. The chemical shifts of the C-1 and C-4 resonances can be correlated with the conformation about the (1 --> 4) linkage. The chemical shifts of the C-6 resonances are also sensitive to hydrogen-bonding interactions. as shown by the spectral changes on loss of water from the structures. The results suggest that, for resonances of carbon atoms close to a centre of significant conformational change, chemical shifts may be predicted on the basis of conformation alone, but for the resonances of more distant atoms, changes in chemical shift due to conformational change may be masked by the effects of alterations in the local environment.
• MONOSACCHARIDE-BASED COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE AND INFLAMMATORY DERMATOLOGICAL DISEASES
  申请人：Priebe Waldemar

  公开号：US20120276108A1

  公开（公告）日：2012-11-01

  The present invention relates to compounds and methods which may be useful as inhibitors of glycolysis, inhibitors of protein glycosylation, anti-virals, and down-regulators of insulin receptor and IGF-1 receptor for the treatment or prevention of inflammatory dermatological diseases or proliferative dermatological diseases.
• US9149489B2
  申请人：——

  公开号：US9149489B2

  公开（公告）日：2015-10-06