3,5-dichloro-4-<<5-(3-methyl-5-isoxazolyl)pentyl>oxy>benzoic acid | 107356-19-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,5-dichloro-4-<<5-(3-methyl-5-isoxazolyl)pentyl>oxy>benzoic acid
• 英文别名: 3,5-Dichloro-4-{[5-(3-methyl-5-isoxazolyl)pentyl]oxy}-benzoic acid；3,5-dichloro-4-[5-(3-methylisoxazol-5-yl)pentyloxy]benzoic acid；3,5-dichloro-4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoic acid
• CAS: 107356-19-4
• 化学式: C₁₆H₁₇Cl₂NO₄
• 分子量: 358.221
• InChiKey: ACYJUVRCUUJTIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  72.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,5-dichloro-4-<<5-(3-methyl-5-isoxazolyl)pentyl>oxy>benzoic acid 生成 N-acetyl-N'-{3,5-dichloro-4-[5-(3-methylisoxazol-5-yl)pentyloxy]benzoyl}hydrazine
  参考文献：
  名称：

  DIANA, GUY D.

  摘要：

  DOI：
• 作为产物：
  描述：

  3,5-dichloro-4-<<5-(3-methyl-5-isoxazolyl)pentyl>oxy>benzonitrile 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 3,5-dichloro-4-<<5-(3-methyl-5-isoxazolyl)pentyl>oxy>benzoic acid
  参考文献：
  名称：

  1,3,4-oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral

  摘要：

  分子式为##STR1##的化合物，其中：Y是3-9个碳原子的烷基桥；R'是低级烷基或羟基-低级烷基或1-5个碳原子；R.sub.1和R.sub.2是氢、卤素、低级烷基、低级烷氧基、硝基、低级烷氧羰基或三氟甲基；R.sub.8是氢或1-5个碳原子的低级烷基，但当R.sub.8是氢时，R'为羟基-低级烷基，可用作抗病毒剂，特别是对抗小肠病毒，包括大量的鼻病毒菌株。

  公开号：

  US05110821A1

文献信息

• 1,3,4-Oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral
  申请人：Sterling Drug Inc.

  公开号：US04945164A1

  公开（公告）日：1990-07-31

  Compounds of the formula ##STR1## wherein: Y is an alkylene bridge of 3-9 carbon atoms; R' is lower-alkyl or hydroxy-lower-alkyl of 1-5 carbon atoms; R.sub.1 and R.sub.2 are hydrogen, halogen, lower-alkyl, lower-alkoxy, nitro, lower-alkoxycarbonyl or trifluoromethyl; and Het is selected from 1,3,4-oxadiazol-2-yl and 5-alkylated derivatives thereof, are useful as antiviral agents, particularly against picornaviruses, including numerous strains of rhinovirus.

  式为##STR1##的化合物，其中：Y是3-9个碳原子的烷基桥；R'是1-5个碳原子的低烷基或羟基低烷基；R.sub.1和R.sub.2是氢、卤素、低烷基、低烷氧基、硝基、低烷氧羰基或三氟甲基；而Het是选自1,3,4-噁二唑-2-基和其5-烷基衍生物，可用作抗病毒剂，特别是对抗许多种鼻病毒的畸变病毒。
• Isoxazole and furan derivatives, their preparation and use as antiviral agents
  申请人：STERLING WINTHROP INC.

  公开号：EP0207454A2

  公开（公告）日：1987-01-07

  Compounds of the formula are wherein: R is hydrogen or alkyl of 1 to 3 carbon atoms optionally substituted by hydroxy, lower-alkoxy, lower-alkoxyalkoxy, lower-acyloxy, halo or N=Z', wherein N=Z' is amino, lower- slkanoylamino, lower-alkylamino, di-lower-alkylamino, 1-pyrrolidyl, 1-piperidiny) or 4-morpholinyl; X is 0 or CH2; Y is an alkylene bridge of 3-9 carbon atoms, optionally interrupted by an olefinic linkage; Z is N or R5C, where R5 is hydrogen or lower-alkanoyl, with the proviso that when Z is N, R is other than hydrogen; m is 0 or 1; R, and R2 are each halogen, methyl, nitro, lower- alkoxycarbonyl or trifluoromethyl; and R3 and R4 are each hydrogen or lower-alkyl of 1-3 carbon atoms; and pharmaceutically acceptable acid-addition salts thereof, as well as methods for preparation and use thereof. The compound exhibit valuable antiviral properties.

  式中的化合物 其中 R 是氢或任选被羟基、低级烷氧基、低级烷氧基烷氧基、低级乙氧基、卤素或 N=Z' 取代的 1 至 3 个碳原子的烷基，其中 N=Z' 是氨基、低级烷酰氨基、低级烷基氨基、二低级烷基氨基、1-吡咯烷基、1-哌啶基或 4-吗啉基； X 是 0 或 CH2； Y 是 3-9 个碳原子的亚烷基桥，可选择被烯烃链节打断； Z 是 N 或 R5C，其中 R5 是氢或低级烷酰基，但当 Z 是 N 时，R 不是氢； m 为 0 或 1； R 和 R2 分别是卤素、甲基、硝基、低级烷氧羰基或三氟甲基；以及 R3 和 R4 分别是氢或 1-3 个碳原子的低级烷基；以及 其药学上可接受的酸加成盐及其制备和使用方法。这些化合物具有宝贵的抗病毒特性。
• Oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents
  申请人：STERLING WINTHROP INC.

  公开号：EP0413289A2

  公开（公告）日：1991-02-20

  Compounds of the formulas wherein: Y is an alkylene bridge of 3-9 carbon atoms; R′ is lower-alkyl or hydroxy-lower-alkyl of 1-5 carbon atoms; R₁ and R₂ are hydrogen, halogen, lower-alkyl, lower-alkoxy, nitro, lower-alkoxycarbonyl or trifluoromethyl; and R₈ is hydrogen or lower-alkyl of 1-5 carbon atoms, with the proviso that when R₈ is hydrogen R′ is hydroxy-­lower-alkyl, are useful as antiviral agents, particularly against picornaviruses, including numerous strains of rhinovirus.

  分子式如下的化合物 其中 Y 是 3-9 个碳原子的烯桥； R′ 是 1-5 个碳原子的低级烷基或羟基低级烷基； R₁ 和 R₂ 是氢、卤素、低级烷基、低级烷氧基、硝基、低级烷氧羰基或三氟甲基；以及 R₈ 是氢或 1-5 个碳原子的低级烷基，但当 R₈ 是氢时，R′ 是羟基-低级烷基、 可用作抗病毒剂，尤其是抗皮卡病毒，包括多种鼻病毒。
• Antirhinoviral activity of heterocyclic analogs of Win 54954
  作者：Thomas R. Bailey、Guy D. Diana、Paul J. Kowalczyk、Vahan Akullian、Michael A. Eissenstat、David Cutcliffe、John P. Mallamo、Philip M. Carabateas、Daniel C. Pevear

  DOI：10.1021/jm00102a017

  日期：1992.11

  A variety of heterocyclic analogs of Win 54954 have been synthesized and tested in vitro against human rhinovirus type 14 (HRV-14) in a plaque reduction assay. The more active compounds were tested against 14 additional serotypes, and the concentration which inhibited 80% of the serotypes tested (MIC80) was measured. One compound, 37, exhibited activity comparable to Win 59454. Physicochemical as well as electrostatic parameters were calculated and the results subjected to a QSAR analysis in an effort to explain differences in activity observed between these compounds; however, no meaningful correlation with biological activity was found with any of these parameters.
• DIANA, GUY D.
  作者：DIANA, GUY D.

  DOI：——

  日期：——