1,4-dihydroxy-2-(3',5'-dimethylpyrazol-1'-yl)benzene | 39736-42-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,4-dihydroxy-2-(3',5'-dimethylpyrazol-1'-yl)benzene
• 英文别名: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,4-benzene diol；2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,4-benzenediol；2-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1,4-diol；2-(3,5-Dimethylpyrazol-1-yl)benzene-1,4-diol
• CAS: 39736-42-0
• 化学式: C₁₁H₁₂N₂O₂
• 分子量: 204.228
• InChiKey: TZZOTGGQFFDSCI-UHFFFAOYSA-N

物化性质

• 沸点：
  402.6±45.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  58.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3,5-二甲基吡唑 、 对苯二酚 在 sodium perchlorate 作用下， 以 乙腈 为溶剂， 以6%的产率得到1,4-dihydroxy-2-(3',5'-dimethylpyrazol-1'-yl)benzene
  参考文献：
  名称：

  Electrochemical SNH(An) functionalization of 1,2- and 1,4-dihydroxybenzenes

  摘要：

  The regularities of electrochemical S-N(H)(An) functionalization of 1,2- and 1,4-dihydroxybenzenes with nucleophiles of various strength and basicity are characterized.

  DOI：

  10.1016/j.mencom.2016.11.028

文献信息

• PATCH FOR ANTI-DERMATOPHYTOSIS
  申请人：MEIJI SEIKA PHARMA CO., LTD.

  公开号：US20150209301A1

  公开（公告）日：2015-07-30

  A patch for nails or skin for prevention or treatment of dermatophytosis, containing a layer including a pressure sensitive adhesive layer and a compound represented by the formula: wherein R 1 represents hydrogen, C 1-16 alkyl, or trifluoromethyl; R 2 represents hydrogen, C 1-6 alkyl, halogen, —COO(C 1-6 alkyl), or (CH 2 ) 1-3 COOR; R 3 represents hydrogen, C 1-6 alkyl, amino, trifluoromethyl, or OR; R 4 represents hydroxyl; R 5 represents hydrogen, C 1-6 alkyl, hydroxyl, or halogen; R 6 represents hydrogen, C 1-6 alkyl, trifluoromethyl, halogen, amino, —NR a R b , nitro, hydroxy-C 1-6 alkyl, —CONR a R b , —COO(C 1-6 alkyl), —COOH, —(CH 2 ) 1-3 COOR, or OR a (R a and R b each represents hydrogen, C 1-6 alkyl, or C 1-6 acyl); R 7 represents hydrogen, C 1-6 alkyl, —OR, or halogen; R 8 represents hydrogen, C 1-6 alkyl, hydroxyl, amino, or nitro; and R represents hydrogen or C 1-6 alkyl; or a salt thereof.

  一种用于预防或治疗皮肤真菌病的指甲或皮肤贴片，包含一个层，其中包括一个压敏粘合剂层和一个由以下式表示的化合物： 其中R 1 代表氢、C 1-16 烷基或三氟甲基；R 2 代表氢、C 1-6 烷基、卤素、—COO(C 1-6 烷基)或(CH 2 ) 1-3 COOR；R 3 代表氢、C 1-6 烷基、氨基、三氟甲基或OR；R 4 代表羟基；R 5 代表氢、C 1-6 烷基、羟基或卤素；R 6 代表氢、C 1-6 烷基、三氟甲基、卤素、氨基、—NR a R b 、硝基、羟基-C 1-6 烷基、—CONR a R b 、—COO(C 1-6 烷基)、—COOH、—(CH 2 ) 1-3 COOR或OR a （R a 和R b 各自代表氢、C 1-6 烷基或C 1-6 酰基）；R 7 代表氢、C 1-6 烷基、—OR或卤素；R 8 代表氢、C 1-6 烷基、羟基、氨基或硝基；R代表氢或C 1-6 烷基；或其盐。
• TOPICAL LIQUID AGENT FOR THE TREATMENT OF DERMATOPHYTOSIS
  申请人：MEIJI SEIKA PHARMA CO., LTD.

  公开号：US20140030209A1

  公开（公告）日：2014-01-30

  A topical liquid agent for a nail and/or skin for prevention or treatment of dermatophytosis comprises a film-forming agent and a compound represented by the formula: wherein R 1 represents hydrogen, C 1-6 alkyl, or trifluoromethyl, R 2 represents hydrogen, C 1-6 alkyl, halogen, —COO(C 1-6 alkyl), or (CH 2 ) 1-3 COOR where R represents hydrogen or C 1-6 alkyl, R 3 represents hydrogen, C 1-6 alkyl, amino, trifluoromethyl, or OR where R represents hydrogen or C 1-6 alkyl, R 4 represents hydroxyl, R 5 represents hydrogen, C 1-6 alkyl, hydroxyl, or halogen, R 6 represents hydrogen, C 1-6 alkyl, trifluoromethyl, halogen, amino, —NR a R b , nitro, hydroxy-C 1-6 alkyl, —CONR a R b , —COO(C 1-6 alkyl), —COOH, —(CH 2 ) 1-3 COOR, or OR a where R represents hydrogen or C 1-6 alkyl, R a and R b each represent hydrogen, C 1-6 alkyl, or C 1-6 acyl, R 7 represents hydrogen, C 1-6 alkyl, —OR where R represents hydrogen or C 1-6 alkyl, or halogen, R 8 represents hydrogen, C 1-6 alkyl, hydroxyl, amino, or nitro, or a salt thereof.

  一种用于预防或治疗真菌感染的指甲和/或皮肤的局部液体剂包括一种成膜剂和一个表示为以下结构式的化合物：其中R1代表氢、C1-6烷基或三氟甲基，R2代表氢、C1-6烷基、卤素、—COO(C1-6烷基)或(CH2)1-3COOR，其中R代表氢或C1-6烷基，R3代表氢、C1-6烷基、氨基、三氟甲基或OR，其中R代表氢或C1-6烷基，R4代表羟基，R5代表氢、C1-6烷基、羟基或卤素，R6代表氢、C1-6烷基、三氟甲基、卤素、氨基、—NRaRb、硝基、羟基-C1-6烷基、—CONRaRb、—COO(C1-6烷基)、—COOH、—( )1-3COOR或ORa，其中R代表氢或C1-6烷基，Ra和Rb分别代表氢、C1-6烷基或C1-6酰基，R7代表氢、C1-6烷基、—OR（其中R代表氢或C1-6烷基）或卤素，R8代表氢、C1-6烷基、羟基、氨基或硝基，或其盐。
• ANTITRICHOPHYTOSIS SOLUTION FOR EXTERNAL USE
  申请人：Meiji Seika Pharma Co., Ltd.

  公开号：EP2889031A1

  公开（公告）日：2015-07-01

  According to the present invention, a topical liquid agent having antifungal activity against dermatophytes, and further high nail permeability can be provided. The topical liquid agent for nail and/or skin for prevention or treatment of dermatophytosis comprises a film-forming agent and a compound represented by the formula: wherein R1 represents a hydrogen atom, C1-6 alkyl, or trifluoromethyl, R2 represents a hydrogen atom, C1-6 alkyl, halogen, -COO(C1-6 alkyl), or (CH2)1-3COOR where R represents a hydrogen atom or C1-6 alkyl, R3 represents a hydrogen atom, C1-6 alkyl, amino, trifluoromethyl, or OR where R represents a hydrogen atom or C1-6 alkyl, R4 represents a hydroxyl group, R5 represents a hydrogen atom, C1-6 alkyl, a hydroxyl group, or halogen, R6 represents a hydrogen atom, C1-6 alkyl, trifluoromethyl, halogen, amino, -NRaRb, nitro, hydroxy-C1-6 alkyl, -CONRaRb, -COO(C1-6 alkyl), -COOH, -(CH2)1-3COOR, or ORa where R represents a hydrogen atom or C1-6 alkyl, Ra and Rb may be the same or different from each other, and each represent a hydrogen atom, C1-6 alkyl, or C1-6 acyl, R7 represents a hydrogen atom, C1-6 alkyl, -OR where R represents a hydrogen atom or C1-6 alkyl, or halogen, R8 represents a hydrogen atom, C1-6 alkyl, a hydroxyl group, amino, or nitro, or a salt thereof.

  根据本发明，可以提供一种对皮癣菌具有抗真菌活性的外用液体制剂，而且该制剂还具有较高的指甲渗透性。 这种用于指甲和/或皮肤、预防或治疗皮癣菌病的外用液体制剂包括一种成膜剂和一种由式表示的化合物： 其中 R1 代表氢原子、C1-6 烷基或三氟甲基，R2 代表氢原子、C1-6 烷基、卤素、-COO(C1-6 烷基)或 (CH2)1-3COOR 其中 R 代表氢原子或 C1-6 烷基，R3 代表氢原子、C1-6 烷基、氨基、三氟甲基或 OR 其中 R 代表氢原子或 C1-6 烷基，R4 代表羟基，R5 代表氢原子、C1-6 烷基、羟基或卤素，R6 代表氢原子、C1-6 烷基、三氟甲基、卤素、-COO(C1-6 烷基)或 ( )1-3COOR 其中 R 代表氢原子或 C1-6 烷基、三氟甲基、卤素、氨基、-NRaRb、硝基、羟基-C1-6 烷基、-CONRaRb、-COO(C1-6 烷基)、-COOH、-( )1-3COOR 或 ORa，其中 R 代表氢原子或 C1-6 烷基，Ra 和 Rb 可以相同或不同、R7 代表氢原子、C1-6 烷基、-OR（其中 R 代表氢原子或 C1-6 烷基）或卤素；R8 代表氢原子、C1-6 烷基、羟基、氨基或硝基、 或其盐。
• Patch for treating dermatophytosis
  申请人：MEIJI SEIKA PHARMA CO., LTD.

  公开号：US10123978B2

  公开（公告）日：2018-11-13

  A patch for a nail for treating dermatophytosis which includes a pressure-sensitive adhesive layer containing an acrylic-based pressure-sensitive adhesive and 2-(3, 5-dimethyl-1H-pyrazol-1-yl)-5-methylphenol or a salt thereof, wherein the acrylic-based pressure sensitive adhesive contains a copolymer of 2-ethylhexyl acrylate and N-vinylpyrrolidone, and wherein a mass ratio of the 2-ethylhexyl acrylate and the N-vinylpyrrolidone is 70:30 to 90:10.

  一种用于治疗皮肤癣菌病的指甲贴片，包括压敏胶层，其中压敏胶层含有丙烯酸基压敏胶和 2-(3,5-二甲基-1H-吡唑-1-基)-5-甲基苯酚或其盐，其中丙烯酸基压敏胶含有丙烯酸 2-乙基己酯和 N-乙烯基吡咯烷酮的共聚物，丙烯酸 2-乙基己酯和 N-乙烯基吡咯烷酮的质量比为 70:30 至 90:10。
• ANTI-TRICHOPHYTIC ADHESIVE PATCH
  申请人：Meiji Seika Pharma Co., Ltd.

  公开号：EP2881114B1

  公开（公告）日：2018-09-05