5-<3,5-dimethyl-4-<<3-(5-methyl-2-furanyl)propyl>oxy>phenyl>-2-methyl-2H-tetrazole | 159727-81-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-<3,5-dimethyl-4-<<3-(5-methyl-2-furanyl)propyl>oxy>phenyl>-2-methyl-2H-tetrazole
• 英文别名: 5-methyl-2-[3-[2,6-dimethyl-4-(2-methyl-tetrazol-5-yl)phenoxy]-propyl]furan；5-[3,5-Dimethyl-4-[3-(5-methyl-2-furyl)propoxy]phenyl]-2-methyl-tetrazole；5-[3,5-dimethyl-4-[3-(5-methylfuran-2-yl)propoxy]phenyl]-2-methyltetrazole
• CAS: 159727-81-8
• 化学式: C₁₈H₂₂N₄O₂
• 分子量: 326.398
• InChiKey: GFADXOATPKWKQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  66
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-Methyl-2-[3-[2,6-dimethyl-4-(2-methyl-tetrazol-5-yl)-phenoxy]-propyl]-2,5 dimethoxy-2,5-dihydrofuran Sodium carbonate 、 5-<3,5-dimethyl-4-<<3-(5-methyl-2-furanyl)propyl>oxy>phenyl>-2-methyl-2H-tetrazole 、 溴 在 乙醚 、 水 、 magnesium sulfate 、 ethyl acetate n-hexane 作用下， 以 甲醇 、 Brine 为溶剂， 反应 0.75h， 以to afford 820 mg (76.3%) of 5-methyl-2-[3-[2,6-dimethyl-4-(2-methyl-tetrazol-5-yl)-phenoxy]-propyl]-2,5-dimethoxy-2,5-dihyrofuran的产率得到5-Methyl-2-[3-[2,6-dimethyl-4-(2-methyl-tetrazol-5-yl)phenoxy]-propyl]-2,5 dimethoxy-2,5-dihydrofuran
  参考文献：
  名称：

  Heterocycle substituted phenoxyalkylheterocycles and their use as

  摘要：

  该化合物的化学式为##STR1## 其中Y，R.sub.1，R.sub.2，R.sub.3，R.sub.4和R.sub.5的定义见说明书。

  公开号：

  US05567717A1
• 作为产物：
  描述：

  3-(5-methylfuran-2-yl)propan-1-ol 、 2,6-二甲基-4-(2-甲基-1H-四唑-5-亚基)环己-2,5-二烯-1-酮 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 0.33h， 以68%的产率得到5-<3,5-dimethyl-4-<<3-(5-methyl-2-furanyl)propyl>oxy>phenyl>-2-methyl-2H-tetrazole
  参考文献：
  名称：

  对3-甲基异恶唑的乙酰呋喃替代品的抗鼻病毒活性的评估。3-甲基异恶唑是2-乙酰基呋喃生物甾体吗？

  摘要：

  作为我们广谱抗picornaviral系列中3-甲基异恶唑部分的探针，制备了一组2-乙酰基呋喃类似物来替代3-甲基异恶唑环。两个系列的比较显示出在功效，活性谱，logP和静电参数方面的显着相似性。对与人鼻病毒14结合的21b的X射线研究表明，2-乙酰基采用了syn构象，而羰基氧则以与异恶唑的氮几乎相同的方式充当了ASN219的氢键受体。2-甲基呋喃和2-甲酰基呋喃类似物的抗病毒活性降低证实了顺式构象和氢键能力的重要性。从该研究的结果，很明显，syn-2-乙酰基呋喃环起3-甲基异恶唑的生物等排体的作用。

  DOI：

  10.1021/jm00050a014

文献信息

• Therapeutic phenoxyalkylpyridazines and intermediates therefor
  申请人：Sanofi, S.A.

  公开号：US05665763A1

  公开（公告）日：1997-09-09

  Compounds of the formula ##STR1## wherein: R.sub.1, R.sub.2, R.sub.3 and R.sub.4 are as defined in the specification, Y is alkylene of 3 to 9 carbon atoms, R.sub.5 is alkoxycarbonyl, alkyltetrazolyl, phenyl or a heterocycle chosen from benzoxazolyl, benzathiazolyl, thiadiazolyl, imidazolyl, dihydroimidazolyl, oxazolyl, thiazolyl, oxadiazolyl, pyrazolyl, oxazolinyl, isoxazolyl, isothiazolyl, furyl, triazolyl, thiophenyl, pyridyl, pyrimidinyl, pyrazinyl, pyridazinyl or any of the above substituted with alkyl, alkoxyalkyl, cycloalkyl, halo alkyl, hydroxyalkyl, alkoxy, hydroxy, halo, furyl, thienyl, fluoroalkyl; or a pharmaceutically acceptable acid addition salts thereof; N-oxides thereof, are useful as antipirconaviral agents.

  式子为##STR1##的化合物，其中：R.sub.1、R.sub.2、R.sub.3和R.sub.4如规范中所定义，Y为3至9个碳原子的烷基，R.sub.5为烷氧羰基，烷基四唑基，苯基或从苯并噁唑基，苯并噻唑基，噻二唑基，咪唑基，二氢咪唑基，噁唑基，噻唑基，噁二唑基，吡唑基，噁唑啉基，异噁唑基，异噻唑基，呋喃基，三唑基，噻吩基，氟烷基取代的上述任何一个杂环；或其药学上可接受的酸盐；其N-氧化物，可用作抗病毒药剂。
• US5567717A
  申请人：——

  公开号：US5567717A

  公开（公告）日：1996-10-22
• US5665763A
  申请人：——

  公开号：US5665763A

  公开（公告）日：1997-09-09
• [EN] THERAPEUTIC PHENOXYALKYLPYRIDAZINES AND INTERMEDIATES THEREFOR<br/>[FR] PHENOXYALKYLPYRIDAZINES THERAPEUTIQUES ET LEURS INTERMEDIAIRES
  申请人：SANOFI WINTHROP, INC.

  公开号：WO1995031439A1

  公开（公告）日：1995-11-23

  (EN) Compounds of formula (A), Z is (B) or (C) wherein: R1 and R2 are each independently chosen from hydrogen, halo, alkyl, alkenyl, alkoxy, hydroxy, hydroxyalkyl, hydroxyhaloalkyl, alkoxyalkyl, alkylthioalkynyl, hydroxyalcoxy, alkylthioalkyl, alkylsulfinylalkyl, alkylsulfonylalkyl, amino, aminoalkyl, alkylaminoalkyl, dialkylaminoalkyl, alcoxycarbonyl, carboxy or cyanomethyl, nitro, difluoromethyl, trifluoromethyl or cyano; Y is alkylene of 3 to 9 carbon atoms; R3 and R4 are each independently chosen from hydrogen, alkyl, alkoxy, hydroxy, cycloalkyl, hydroxyalkyl, hydroxyhaloalkyl, alkoxyalkyl, hydroxyalcoxy, alkylthioalkyl, alkanoyl, alkanoyloxy, alkylsulfinylalkyl, alkylsulfonylalkyl, aminoalkyl, alkylaminoalkyl, dialkylaminoalkyl, alkoxycarbonyl, carboxy, cyanomethyl, fluoroalkyl, cyano, phenyl, alkynyl, alkene, or halo; R5 is alkoxycarbonyl, alkyltetrazolyl, phenyl or a heterocycle chosen from benzoxazolyl, benzathiazolyl, thiadiazolyl, imidazolyl, dihydroimidazolyl, oxazolyl, thiazolyl, oxadiazolyl, pyrazolyl, oxazolinyl, isoxazolyl, isothiazolyl, furyl, triazolyl, thiophenyl, pyridyl, pyrimidinyl, pyrazinyl, pyridazinyl or any of the above substituted with alkyl, alkoxyalkyl, cycloalkyl, halo, alkyl, hydroxyalkyl, alkoxy, hydroxy, halo, furyl, thienyl, fluoroalkyl; or a pharmaceutically acceptable acid addition salts thereof; N-oxides thereof, are useful as antipicornaviral agents.(FR) Composés répondant à la formule (A), où Z représente (B) ou (C), R1 et R2 sont chacun indépendamment choisis entre hydrogène, halo, alkyle, alcényle, alcoxy, hydroxy, hydroxyalkyle, hydroxyhaloalkyle, alcoxyalkyle, alkylthioalcynyle, hydroxyalcoxy, alkylthioalkyle, alkylsulfinylalkyle, alkylsulfonylalkyle, amino, aminoalkyle, alkylaminoalkyle, dialkylaminoalkyle, alcoxycarbonyle, carboxy ou cyanométhyle, nitro, diflurométhyle, trifluorométhyle ou cyano; Y représente alkylène contenant 3 à 9 atomes de carbone; R3 et R4 sont chacun indépendamment choisis entre hydrogène, alkyle, alcoxy, hydroxy, cycloalkyle, hydroxyalkyle, hydroxyhaloalkyle, alcoxyalkyle, hydroxyalcoxy, alkylthioalkyle, alcanoyle, alcanoyloxy, alkylsulfinylalkyle, alkylsulfonylalkyle, aminoalkyle, alkylaminoalkyle, dialkylaminoalkyle, alcoxycarbonyle, carboxy ou cyanométhyle, fluroalkyle, cyano, phényle, alcynyle, alcène ou halo; R5 représente alcoxycarbonyle, alkyltétrazolyle, phényle ou un hétérocycle choisi entre benzoxazolyle, benzathiazolyle, thiadiazolyle, imidazolyle, dihydro-imidazolyle, oxazolyle, thiazolyle, oxadiazolyle, pyrazolyle, oxazolinyle, isoxazolyle, isothiazolyle, furyle, triazolyle, thiophényle, pyridyle, pyrimidinyle, pyrazinyle, pyridazinyle, ou l'un quelconque des éléments précités substitués par alkyle, alcoxyalkyle, cycloalkyle, haloalkyle, hydroxyalkyle, alcoxy, hydroxy, halo, furyle, thiényle, fluoroalkyle. Ces composés, ou un de leurs sels d'addition d'acide pharmaceutiquement acceptables, et leurs N-oxydes, peuvent s'utiliser comme agents antipicornaviraux.