4-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-butanesulfonyl]-1-(4-methoxyphenyl)piperazine | 145942-69-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-butanesulfonyl]-1-(4-methoxyphenyl)piperazine
• 英文别名: (2R,3R)-2-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1-(1,2,4-triazol-1-yl)butan-2-ol
• CAS: 145942-69-4
• 化学式: C₂₃H₂₇F₂N₅O₄S
• 分子量: 507.561
• InChiKey: FQFLCEYWLGHJQM-UZUQRXQVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  10

文献信息

• Azole compounds, their production and use
  申请人：TAKEDA CHEMICAL INDUSTRIES, LTD.

  公开号：EP0510700A2

  公开（公告）日：1992-10-28

  An azole compound represented by the formula (I): wherein X is a nitrogen atom or CH; Ar is a substituted phenyl group; R¹ and R² independently are a hydrogen atom or a lower alkyl group, or they may combine together to form a lower alkylene group; B is a group of the formula: (wherein R³ and R⁴ independently are a hydrogen atom, an optionally substituted aliphatic or aromatic hydrocarbon residue or an optionally substituted heterocyclic group, or they may form an optionally substituted heterocyclic group together with the nitrogen atom to which they are bonded; and n denotes an integer of 0 to 2), or a group of the formula: (wherein R⁵ and R⁶ independently are a hydrogen atom, an optionally substituted aliphatic or aromatic hydrocarbon residue group or an optionally substituted heterocyclic group, or they may form an optionally substituted heterocyclic group together with the nitrogen atom and sulfur atom to which they are bonded; and m denotes an integer of 0 to 2); and R⁷ is a hydrogen atom or an acylated hydroxyl group, or may form a bond together with R¹, or a salt thereof, which is useful as an antifungal agent.

  由式 (I) 代表的唑类化合物： 其中 X 是氮原子或 CH；Ar 是取代的苯基；R¹ 和 R² 分别是氢原子或低级烷基，或它们可结合在一起形成低级亚烷基；B 是式中的一个基团： (其中 R³ 和 R⁴ 各自为氢原子、任选取代的脂肪族或芳香族烃残基或任选取代的杂环基团，或它们可与所键合的氮原子一起形成任选取代的杂环基团；且 n 表示 0 至 2 的整数），或为式中的基团： (其中 R⁵ 和 R⁶ 独立地为氢原子、任选取代的脂肪族或芳香族烃残基或任选取代的杂环基团，或它们可与所键合的氮原子和硫原子一起形成任选取代的杂环基团；R⁷是氢原子或酰化羟基，或可与 R¹ 或其盐一起形成键，可用作抗真菌剂。
• US5389663A
  申请人：——

  公开号：US5389663A

  公开（公告）日：1995-02-14