6-chloro-2-[(4-methoxybenzyl)oxy]-3-propyl-4-quinolinyl 2,2,2-trifluoroethyl ether | 345913-54-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 6-chloro-2-[(4-methoxybenzyl)oxy]-3-propyl-4-quinolinyl 2,2,2-trifluoroethyl ether
• 英文别名: 6-Chloro-2-[(4-methoxybenzyl)oxy]-3-propylquinolinyl 2,2,2-trifluoroethyl ether；6-chloro-2-[(4-methoxyphenyl)methoxy]-3-propyl-4-(2,2,2-trifluoroethoxy)quinoline
• CAS: 345913-54-4
• 化学式: C₂₂H₂₁ClF₃NO₃
• 分子量: 439.862
• InChiKey: FWJGQIKDDXMJIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  6-chloro-2-[(4-methoxybenzyl)oxy]-3-propyl-4-quinolinyl 2,2,2-trifluoroethyl ether 在 ammonium cerium(IV) nitrate 、 lithium 作用下， 以 乙醚 、 乙腈 为溶剂， 反应 1.5h， 生成 6-Chloro-4-[(2-cyclopropylethynyl)oxy]-3-propyl-2(1H)-quinolinone
  参考文献：
  名称：

  Design of Non-nucleoside Inhibitors of HIV-1 Reverse Transcriptase with Improved Drug Resistance Properties. 2.

  摘要：

  HIV-1 nonnucleoside reverse transcriptase inhibitors (NNRTIs) are part of the combination therapy currently used to treat HIV infection. The features of a new NNRTI drug for HIV treatment must include selective potent activity against both wild-type virus as well as against mutant virus that have been selected by use of current antiretroviral treatment regimens. Based on analogy with known HIV-1 NNRTI inhibitors and modeling studies utilizing the X-ray crystal structure of inhibitors bound in the HIV-1 RT, a series of substituted 2-quinolones was synthesized and evaluated as HIV-1 inhibitors.

  DOI：

  10.1021/jm040072r
• 作为产物：
  描述：

  丙基丙二酸二乙酯 在 sodium hydride 、 silver(l) oxide 作用下， 以 二苯醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.08h， 生成 6-chloro-2-[(4-methoxybenzyl)oxy]-3-propyl-4-quinolinyl 2,2,2-trifluoroethyl ether
  参考文献：
  名称：

  Design of Non-nucleoside Inhibitors of HIV-1 Reverse Transcriptase with Improved Drug Resistance Properties. 2.

  摘要：

  HIV-1 nonnucleoside reverse transcriptase inhibitors (NNRTIs) are part of the combination therapy currently used to treat HIV infection. The features of a new NNRTI drug for HIV treatment must include selective potent activity against both wild-type virus as well as against mutant virus that have been selected by use of current antiretroviral treatment regimens. Based on analogy with known HIV-1 NNRTI inhibitors and modeling studies utilizing the X-ray crystal structure of inhibitors bound in the HIV-1 RT, a series of substituted 2-quinolones was synthesized and evaluated as HIV-1 inhibitors.

  DOI：

  10.1021/jm040072r

文献信息

• Quinolone compounds for use in treating viral infections
  申请人：——

  公开号：US20030069271A1

  公开（公告）日：2003-04-10

  The present invention relates to quinolone compounds and their use in the treatment of viral infections.

  本发明涉及喹诺酮化合物及其在治疗病毒感染中的应用。