5-phenyl-8H-[1,2,4]triazolo-[3,4-c][1,4]thiazin-3(2H)-one | 197095-86-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-phenyl-8H-[1,2,4]triazolo-[3,4-c][1,4]thiazin-3(2H)-one
• 英文别名: 5-Phenyl-2,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]thiazin-3-one
• CAS: 197095-86-6
• 化学式: C₁₁H₉N₃OS
• 分子量: 231.278
• InChiKey: FQEHSYNXITXTIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  70
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Condensed thiazine derivatives their production and use
  申请人：TAKEDA CHEMICAL INDUSTRIES, LTD.

  公开号：EP0795557A1

  公开（公告）日：1997-09-17

  This invention relates to a compound of the following formula or a salt thereof, their production and use. wherein R1 and R2 independently represent hydrogen, a group bonding through a carbon atom, a group bonding through a nitrogen atom, a group bonding through an oxygen atom, or a group bonding through a sulfur atom; R3 represents hydrogen, halogen, a group bonding through a carbon atom, a group bonding through a nitrogen atom, a group bonding through an oxygen atom, or a group bonding through a sulfur atom; W represents an oxygen atom or sulfur atom; A represents a group forming a nitrogen-containing condensed ring at the 3,4- of a 1,4-thiazine ring; R1 and R2 may be combined to form a bivalent hydrocarbon group interrupted by one or more hetero atoms or an alkylene group. The above compound or a salt thereof not only has Th1 and Th2 cell function modulating activity but has splenocyte proliferation response, interleukin-5 production, and interferon-gamma production inhibitory activity and finds application as an effective therapeutic and/or prophylactic agent for allergic or autoimmune diseases or as an effective therapeutic and/or prophylactic agent for graft rejection or graft-vs-host disease.

  本发明涉及下式化合物或其盐及其生产和使用。 其中 R1 和 R2 分别代表氢、通过碳原子键合的基团、通过氮原子键合的基团、通过氧原子键合的基团或通过硫原子键合的基团；R3 代表氢、卤素、通过碳原子键合的基团、通过氮原子键合的基团、通过氧原子键合的基团或通过硫原子键合的基团；W 代表氧原子或硫原子；A 代表在 1，4-噻嗪环的 3，4-处形成含氮缩合环的基团；R1 和 R2 可结合形成被一个或多个杂原子或亚烷基打断的二价烃基。 上述化合物或其盐不仅具有调节 Th1 和 Th2 细胞功能的活性，而且具有抑制脾细胞增殖反应、白细胞介素-5 生成和干扰素-γ 生成的活性，可用作过敏性或自身免疫性疾病的有效治疗剂和/或预防剂，或用作移植物排斥反应或移植物抗宿主病的有效治疗剂和/或预防剂。
• US6004954A
  申请人：——

  公开号：US6004954A

  公开（公告）日：1999-12-21