4-(4-氯苯基)-5-[4-(2-甲基-2-丙基)苯基]-2,4-二氢-3H-1,2,4-三唑-3-硫酮 | 124998-68-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4-(4-氯苯基)-5-[4-(2-甲基-2-丙基)苯基]-2,4-二氢-3H-1,2,4-三唑-3-硫酮
• 英文名称: 5-[4-(tert-Butyl)phenyl]-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
• 英文别名: 3-(4-tert-butylphenyl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
• CAS: 124998-68-1
• 化学式: C₁₈H₁₈ClN₃S
• mdl: MFCD00177232
• 分子量: 343.9
• InChiKey: XKULROXVGOGMDR-UHFFFAOYSA-N

物化性质

• 熔点：
  245-249

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  59.7
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi

文献信息

• 4-Aralkyl-5-substituted-1,2,4-triazole-5-thiols
  申请人：SMITHKLINE BECKMAN CORPORATION

  公开号：EP0323737A1

  公开（公告）日：1989-07-12

  Compounds of formula (I) and pharmaceutically acceptable salts thereof are described in which, n is 0 to 5; X¹ to X⁵ are any accessible combination of hydrogen, halogen, C₁₋₆alkyl, C₁₋₆alkoxy, cyano, nitro, SONH₂, SO₂NH₂, SO₂CH₃, SO₂CH₂F, SO₂CHF₂, SO₂CF₃, CF₃, CHO, OH, CH₂OH, CO₂H, or CO₂CpH2p+1 wherein p is 1 to 4; R¹ is phenyl substituted by X¹ to X⁵, C₁₋₄alkyl, C₃₋₆cycloalkyl, or an arylC₁₋₄alkyl group substituted by X¹ to X⁵; R² is hydrogen, C₁₋₄alkyl or (CH₂)m-CO₂R³; m is 0 to 5; and R³ is H or C₁₋₄alkyl. These compounds are dopamine-β-hydroxylase inhibitors. Pharmaceutical compositions are described as are methods of use. Processes for the preparation of these compounds are described.

  描述了式（I）的化合物及其药学上可接受的盐，其中，n为0至5；X¹至X⁵为氢、卤素、C₁₋₆烷基、C₁₋₆烷氧基、氰基、硝基、SONH₂、SO₂NH₂、SO₂CH₃、SO₂CH₂F、SO₂CHF₂、SO₂CF₃、CF₃、CHO、OH、CH₂OH、CO₂H或CO₂CpH2p+1的任意可访问组合，其中p为1至4；R¹为被X¹至X⁵取代的苯基、C₁₋₄烷基、C₃₋₆环烷基或被X¹至X⁵取代的芳基C₁₋₄烷基基团；R²为氢、C₁₋₄烷基或（CH₂）m-CO₂R³；m为0至5；R³为H或C₁₋₄烷基。这些化合物是多巴胺-β-羟基化酶抑制剂。描述了药物组合物以及使用方法。描述了这些化合物的制备过程。
• Novel modulators of the PPAR-type receptors and pharmaceutical/cosmetic applications thereof
  申请人：Diaz Philippe

  公开号：US20070054907A1

  公开（公告）日：2007-03-08

  Novel compounds that are modulators of PPAR-type receptors having the structural formula (I): are formulated into pharmaceutical compositions suited for administration in human or veterinary medicine (in dermatology, and in the field of cardiovascular diseases, immune diseases and/or diseases linked to the metabolism of lipids), or, alternatively, into cosmetic compositions.

  具有结构式（I）的调节PPAR型受体的新化合物被制成适用于人类或兽医药物的制剂（在皮肤科、心血管疾病、免疫疾病和/或与脂质代谢相关的疾病中），或者制成化妆品制剂。
• NOVEL COMPOUNDS WHICH ARE MODULATORS OF THE PPAR-TYPE RECEPTORS AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS
  申请人：Galderma Research & Development, S.N.C.

  公开号：EP1694669B1

  公开（公告）日：2007-04-11
• US7829588B2
  申请人：——

  公开号：US7829588B2

  公开（公告）日：2010-11-09
• WO1989006125A1
  申请人：——

  公开号：WO1989006125A1

  公开（公告）日：1989-07-13