5-{7-[4-(4,5-dihydro-5-hydroxymethyl-2-oxazolyl)phenoxy]heptyl}-3-methylisoxazole | 98033-97-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-{7-[4-(4,5-dihydro-5-hydroxymethyl-2-oxazolyl)phenoxy]heptyl}-3-methylisoxazole
• 英文别名: 5-Oxazolemethanol, 4,5-dihydro-2-(4-((7-(3-methyl-5-isoxazolyl)heptyl)oxy)phenyl)-；[2-[4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]phenyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol
• CAS: 98033-97-7
• 化学式: C₂₁H₂₈N₂O₄
• 分子量: 372.464
• InChiKey: RKCXCQAZSOBASC-UHFFFAOYSA-N

物化性质

• 熔点：
  75-76 °C
• 沸点：
  572.0±50.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  27
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  77.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-{7-[4-(4,5-dihydro-5-hydroxymethyl-2-oxazolyl)phenoxy]heptyl}-3-methylisoxazole 、 碘甲烷 以 四氢呋喃 、 乙酸乙酯 、 mineral oil 为溶剂， 生成 5-{7-[4-(4,5-dihydro-5-methoxymethyl-2-oxazolyl)phenoxy]heptyl}-3-methylisoxazole
  参考文献：
  名称：

  Di-heterocyclic compounds and their use as antiviral agents

  摘要：

  公式化合物：##STR1## 其中Het是噁唑或噁唑啉基团；X是O、S或SO，n是从3到9的整数，Y是脂肪桥；各种R基团代表氢或如本文所述的各种取代基，可用作抗病毒剂，特别是对抗小RNA病毒。用于公式I化合物的N-(氯烷基)酰胺中间体也作为抗病毒剂活性。还披露了超出上述公式范围的相关化合物。

  公开号：

  US04843087A1
• 作为产物：
  描述：

  3,5-二甲基异唑 在 盐酸 、 正丁基锂 、 TEA 作用下， 以 乙醚 为溶剂， 反应 7.0h， 生成 5-{7-[4-(4,5-dihydro-5-hydroxymethyl-2-oxazolyl)phenoxy]heptyl}-3-methylisoxazole
  参考文献：
  名称：

  [[(4,5-Dihydro-2-oxazolyl)phenoxy]alkyl]isoxazoles. Inhibitors of picornavirus uncoating

  摘要：

  A series of [[(4,5-dihydro-2-oxazolyl)phenoxy]alkyl]isoxazoles has been synthesized and evaluated as antipicornavirus agents. The effect of alkyl groups in the 4- and 5-position of the oxazoline ring, as well as the alkyl chain length, on antiviral activity was examined. Compound 14 was evaluated in vivo and was found to significantly reduce mortality at an oral dose of 4 mg/kg in mice infected intracerebrally with poliovirus-2. Compound 14 was also effective in preventing paralysis when administered intraperitoneally to mice infected subcutaneously with a lethal dose of ECHO-9 virus. On the basis of the results of these studies, compound 14 is a strong candidate for clinical evaluation as a systemic agent for the treatment of picornavirus infections.

  DOI：

  10.1021/jm00150a025

文献信息

• Di-heterocyclic compounds and their use as antiviral agents
  申请人：Sterling Drug Inc.

  公开号：US04843087A1

  公开（公告）日：1989-06-27

  Compounds of the formulas: ##STR1## wherein Het is an oxazole or oxazine moiety; X is O, S or SO, n is an integer from 3 to 9, Y is an aliphatic bridge; and the various R groups represent hydrogen or various substituents as described herein, are useful as antiviral agents, especially against picornaviruses. N-(Chloroalkyl)amide intermediates for the compounds of Formula I are also active as antiviral agents. Related compounds outside the scope of the above formulas are also disclosed.

  公式化合物：##STR1## 其中Het是噁唑或噁唑啉基团；X是O、S或SO，n是从3到9的整数，Y是脂肪桥；各种R基团代表氢或如本文所述的各种取代基，可用作抗病毒剂，特别是对抗小RNA病毒。用于公式I化合物的N-(氯烷基)酰胺中间体也作为抗病毒剂活性。还披露了超出上述公式范围的相关化合物。
• Haloalkoxy phenyl 4,5 dihydro oxazoles
  申请人：Sterling Drug Inc.

  公开号：US04939267A1

  公开（公告）日：1990-07-03

  Compounds of the formulas: ##STR1## wherein Het is an oxazole or oxazine moiety; X is O, S or SO, n is an integer from 3 to 9, Y is an aliphatic bridge; and the various R groups represent hydrogen or various substituents as described herein, are useful as antiviral agents, especially against picornaviruses. N-(Chloroalkyl)amide intermediates for the compounds of Formula I are also active as antiviral agents. Related compounds outside the scope of the above formulas are also disclosed.

  上述公式中，化合物的公式为：##STR1## 其中Het是噁唑或噁嗪基团；X为O，S或SO，n为3至9的整数，Y为脂肪桥；各种R基团表示氢或如本文所述的各种取代基，对于抗病毒剂特别是针对小肠病毒具有用处。公式I化合物的N-(氯烷基)酰胺中间体也具有抗病毒活性。还公开了范围外的相关化合物。
• N-haloalkyl-4-(isoxazol-5-yl)alkoxy benzamides
  申请人：Sterling Drug, Inc.

  公开号：US05002960A1

  公开（公告）日：1991-03-26

  Compounds of the formulas: ##STR1## wherein Het is an oxazole or oxazine moiety; X is O, S or SO, n is an integer from 3 to 9, Y is an aliphatic bridge; and the various R groups represent hydrogen or various substituents as described herein, are useful as antiviral agents, especially against picornaviruses. N-(Chloroalkyl)amide intermediates for the compounds of Formula I are also active as antiviral agents. Related compounds outside the scope of the above formulas are also disclosed. Also disclosed are novel intermediates, N-halo-alkyl-4-(isoxazol-5-yl)alkoxybenzamides, also useful as antiviral agents.

  分子式为##STR1##的化合物，在其中Het是噁唑或噁唑烷基；X是O，S或SO，n是从3到9的整数，Y是脂肪桥；各种R基代表氢或如下所述的各种取代基，对于抗病毒剂，特别是对于小肠病毒具有用处。Formula I化合物的N-(氯代烷基)酰胺中间体也是作为抗病毒剂活性的。还披露了范围外的相关化合物。还披露了新的中间体，N-卤代烷基-4-(异噁唑-5-基)烷氧基苯甲酰胺，也可作为抗病毒剂使用。
• (Substituted) Phenyl-aliphatic-isoxazoles useful as antiviral agents and preparation thereof
  申请人：STERLING WINTHROP INC.

  公开号：EP0137242A2

  公开（公告）日：1985-04-17

  Compounds of the formulas and wherein R is lower-alkyl or substituted-lower-alkyl; R1, R2, R3 and R4 are each hydrogen, lower-alkyl or substituted lower-alkyl; R5 is hydrogen, lower-alkyl, halogen, nitro, lower-alkoxy, lower-alkylthio or trifluoromethyl; R6 is lower-alkyl; X is 0 or a single bond; and n is an integer from 3 to 9, are useful as antiviral agents, especially against picomaviruses.

  公式如下的化合物 和 其中 R 是低级烷基或取代的低级烷基；R1、R2、R3 和 R4 分别是氢、低级烷基或取代的低级烷基；R5 是氢、低级烷基、卤素、硝基、低级烷氧基、低级烷硫基或三氟甲基；R6 是低级烷基；X 是 0 或单键；n 是 3 至 9 的整数。
• DIANA, G. D.;MCKINLAY, M. A.;OTTO, M. J.;AKULLIAN, V.;OGLESBY, C., J. MED. CHEM., 1985, 28, N 12, 1906-1910
  作者：DIANA, G. D.、MCKINLAY, M. A.、OTTO, M. J.、AKULLIAN, V.、OGLESBY, C.

  DOI：——

  日期：——