6-chloro-9-(2',3'-dideoxy-β-D-glycero-pent-2'-enofuranosyl)purine | 188525-35-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 6-chloro-9-(2',3'-dideoxy-β-D-glycero-pent-2'-enofuranosyl)purine
• CAS: 188525-35-1
• 化学式: C₁₀H₉ClN₄O₂
• 分子量: 252.66
• InChiKey: HKGDRJBQMNXFMO-NKWVEPMBSA-N

物化性质

• 沸点：
  497.7±55.0 °C(Predicted)
• 密度：
  1.72±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.93
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  73.06
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  6-chloro-9-(2',3'-dideoxy-β-D-glycero-pent-2'-enofuranosyl)purine 在 palladium on activated charcoal 水 、 氢气 、 三乙胺 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 9.0h， 生成 2',3'-dideoxy-5'-O-dihydroxyphosphoryl-N⁶-[1-(4-aminobutyl)]adenosine
  参考文献：
  名称：

  Synthesis of haptens for the development of immunoassays for the monitoring of intracellular anti-HIV nucleosides and nucleotides

  摘要：

  A series of nine modified dideoxynucleosides and dideoxynucleotides has been synthesized for preparing antigenic conjugates with keyhole lympet haemocyanin in order to produce specific antibodies, and develop immunoassays. Derivatives of ddI, ddA, d4T, 3TC, and the corresponding 5 ' -O-monophosphates were designed incorporating an amino spacer at the base for conjugation with the proteinic antigenic carrier. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00800-6
• 作为产物：
  描述：

  6-chloro-9-(5'-O-acetyl-2',3'-dideoxy-β-D-glycero-pent-2'-enofuranosyl)purine 在 氨 作用下， 以 甲醇 为溶剂， 反应 5.0h， 以96%的产率得到6-chloro-9-(2',3'-dideoxy-β-D-glycero-pent-2'-enofuranosyl)purine
  参考文献：
  名称：

  Synthesis of haptens for the development of immunoassays for the monitoring of intracellular anti-HIV nucleosides and nucleotides

  摘要：

  A series of nine modified dideoxynucleosides and dideoxynucleotides has been synthesized for preparing antigenic conjugates with keyhole lympet haemocyanin in order to produce specific antibodies, and develop immunoassays. Derivatives of ddI, ddA, d4T, 3TC, and the corresponding 5 ' -O-monophosphates were designed incorporating an amino spacer at the base for conjugation with the proteinic antigenic carrier. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00800-6