2-羟基-5,7-二甲氧基-2,3-二氢色烯-4-酮 | 61350-59-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: 2-羟基-5,7-二甲氧基-2,3-二氢色烯-4-酮
• 英文名称: 2,3-Dihydro-2-hydroxy-5,7-trimethoxy-chromon
• 英文别名: 2.3-Dihydro-2-hydroxy-5.7-dimethoxy-chromon (II)；2-Hydroxy-5,7-dimethoxychroman-4-one；2-hydroxy-5,7-dimethoxy-2,3-dihydrochromen-4-one
• CAS: 61350-59-2
• 化学式: C₁₁H₁₂O₅
• 分子量: 224.213
• InChiKey: OAKWGKAJZBAEKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-羟基-5,7-二甲氧基-2,3-二氢色烯-4-酮 在 氢气 作用下， 生成 5,7-dimethoxychromone
  参考文献：
  名称：

  Differential Inhibition of polymerase and Strand-Transfer Activities of HIV-1 Reverse Transcriptase

  摘要：

  A new class of inhibitors of HIV-1 reverse transcriptase obtained by the systematic structural simplification of epicatechin and epigallocatechin gallates are also shown here to inhibit DNA-strand-transfer, a process critical to the completion of the HIV-1-RT reproduction and to recombination-associated mutation of the virus. Up to 80-fold selectivity for DNA-strand-transfer inhibition over polymerase inhibition was observed for a defined subset of these agents. Such specific DNA-strand-transfer inhibitors may have important therapeutic potential. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00827-7
• 作为产物：
  描述：

  2-羟基-4,6-二甲氧基苯乙酮 、 甲酸乙酯 在 sodium 作用下， 生成 2-羟基-5,7-二甲氧基-2,3-二氢色烯-4-酮
  参考文献：
  名称：

  Differential Inhibition of polymerase and Strand-Transfer Activities of HIV-1 Reverse Transcriptase

  摘要：

  A new class of inhibitors of HIV-1 reverse transcriptase obtained by the systematic structural simplification of epicatechin and epigallocatechin gallates are also shown here to inhibit DNA-strand-transfer, a process critical to the completion of the HIV-1-RT reproduction and to recombination-associated mutation of the virus. Up to 80-fold selectivity for DNA-strand-transfer inhibition over polymerase inhibition was observed for a defined subset of these agents. Such specific DNA-strand-transfer inhibitors may have important therapeutic potential. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00827-7

文献信息

• AHLUWALIA V. K.; PRAKASH C., INDIAN J. CHEM. <IJOC-AB>, 1977, B 15, NO 4, 331-334
  作者：AHLUWALIA V. K.、 PRAKASH C.

  DOI：——

  日期：——
• Differential Inhibition of polymerase and Strand-Transfer Activities of HIV-1 Reverse Transcriptase
  作者：L.M.Viranga Tillekeratne、Angela Sherette、Jennifer A Fulmer、Lynn Hupe、Donald Hupe、Sam Gabbara、James A Peliska、Richard A Hudson

  DOI：10.1016/s0960-894x(01)00827-7

  日期：2002.2

  A new class of inhibitors of HIV-1 reverse transcriptase obtained by the systematic structural simplification of epicatechin and epigallocatechin gallates are also shown here to inhibit DNA-strand-transfer, a process critical to the completion of the HIV-1-RT reproduction and to recombination-associated mutation of the virus. Up to 80-fold selectivity for DNA-strand-transfer inhibition over polymerase inhibition was observed for a defined subset of these agents. Such specific DNA-strand-transfer inhibitors may have important therapeutic potential. (C) 2002 Elsevier Science Ltd. All rights reserved.