2-[2-(4-chlorophenyl)-2-oxoethyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-5-methyl-3H-1,2,4-triazol-3-one | 148119-87-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[2-(4-chlorophenyl)-2-oxoethyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-5-methyl-3H-1,2,4-triazol-3-one
• 英文别名: 3H-1,2,4-Triazol-3-one, 2-[2-(4-chlorophenyl)-2-oxoethyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-5-methyl-；2-[2-(4-chlorophenyl)-2-oxoethyl]-4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-5-methyl-1,2,4-triazol-3-one
• CAS: 148119-87-3
• 化学式: C₂₇H₂₆ClN₅O₃
• 分子量: 503.988
• InChiKey: RJJUJUCRHKNIMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  79.7
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• (Carboxyl)alkyloxyalkyl derivatives of cyclodextrins
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP0499322A1

  公开（公告）日：1992-08-19

  Clyclodextrin ethers or mixed ethers wherein one or several hydroxy groups of the cyclodextrin moiety are etherified with mono- or dihydroxyalkyl and in the case of mixed ethers, one or more of the remaining hydroxy groups of the cyclodextrin moiety are further etherified with (carboxyl)alkyl or (derivatized carboxyl)alkyl, and wherein one or more of the hydroxy groups of said mono- or dihydroxyalkyl groups are further etherified with (carboxyl)alkyl or (derivatized carboxyl) alkyl; the alkylcarbonylated derivatives thereof; the non-toxic metal and amine salt forms thereof; and the stereochemically isomeric forms thereof. Process for preparing said cyclodextrin derivatives. Cyclodextrin derivatives obtainable by said process. Complexes and pharmaceutical compositions comprising said cyclodextrin derivatives.

  环糊精醚或混合醚，其中环糊精分子的一个或多个羟基与单羟基或二羟基烷基醚化，在混合醚的情况下，环糊精分子的一个或多个剩余羟基进一步与(羧基)烷基或(衍生羧基)烷基醚化、环糊精基团的一个或多个剩余羟基进一步与(羧基)烷基或(衍生化羧基)烷基醚化，其中所述单羟基或二羟基烷基的一个或多个羟基进一步与(羧基)烷基或(衍生化羧基)烷基醚化；其烷基羰基化衍生物；其无毒金属盐和胺盐形式；以及其立体化学异构形式。制备上述环糊精衍生物的工艺。可通过所述工艺获得的环糊精衍生物。包含所述环糊精衍生物的复合物和药物组合物。
• 4-(4-(4-(4-hydroxyphenyl)-1-piperazinyl)-phenyl)-5-methyl-3H-1,2,4-triazol-3-one derivatives as 5-lipoxygenase inhibitors
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP0532091A1

  公开（公告）日：1993-03-17

  2-[2-(4-chlorophenyl)-2-(hydroxy or oxo)ethyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-5-methyl-3H-1,2,4-triazol-3-one having the formula wherein X represents C=O or CHOH, for use as 5-lipoxygenase inhibitors. Pharmaceutical compositions, processes for preparing said compounds and compositions; and a method of treating leukotriene mediated diseases.

  2-[2-(4-chlorophenyl)-2-(hydroxy or oxo)ethyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-5-methyl-3H-1,2,4-triazol-3-one having the formula 其中 X 代表 C=O 或 CHOH，用作 5-脂氧合酶抑制剂。药物组合物、制备所述化合物和组合物的工艺；以及治疗白三烯介导的疾病的方法。
• (CARBOXYL)ALKYLOXYALKYL DERIVATIVES OF CYCLODEXTRINS
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP0571416A1

  公开（公告）日：1993-12-01
• JPH05194436A
  申请人：——

  公开号：JPH05194436A

  公开（公告）日：1993-08-03
• US5254553A
  申请人：——

  公开号：US5254553A

  公开（公告）日：1993-10-19