2-[(3-Chloro-4-methyl)phenyl]-6-hydroxy-4-methyl-2H-1,2,4-benzothiadiazine-3(4H)-one 1,1-dioxide | 117640-58-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻二嗪
• 英文名称: 2-[(3-Chloro-4-methyl)phenyl]-6-hydroxy-4-methyl-2H-1,2,4-benzothiadiazine-3(4H)-one 1,1-dioxide
• 英文别名: 2-(3-Chloro-4-methylphenyl)-6-hydroxy-4-methyl-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-one；2-(3-chloro-4-methylphenyl)-6-hydroxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
• CAS: 117640-58-1
• 化学式: C₁₅H₁₃ClN₂O₄S
• 分子量: 352.798
• InChiKey: KNELZJCXFUAJKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  86.3
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• New benzothiadiazine compounds, processes for the preparation thereof and pharmaceutical composition comprising the same
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0268990A2

  公开（公告）日：1988-06-01

  A compound of the formula : wherein R1 is phenyl, lower alkyl, or heterocyclic group which may be substituted, or cyclo(lower)alkyl; A is lower alkylene, n is an integer of 0 or 1, R2 is hydrogen or lower alkyl, R3 is hydrogen; hydroxy, halogen; halo(lower)-alkyl; lower alkyl; lower alkylamino; acylamino; acyl(lower)-alkylamino; lower alkoxy, cyclo(lower)alkyl, or cyclo(lower)alkyloxy which may have certain substituents: R4 is hydrogen or halogen, and R5 is hydrogen or halogen, provided that R1 is phenyl substituted with lower alkoxy, lower alkylamino, lower alkylthio, aryloxy, carboxy, esterified carboxy, carboxy(lower)alkyl or esterified carboxy(lower)alkyl; lower alkyl substituted with carboxy or esterified carboxy; or heterocyclic group substituted with lower alkyl, when R3 is hydrogen or halogen, and pharmaceutically acceptable salt thereof, processes for their preparation and pharmaceutical compositions comprising them. The invention also relates to intermediate compounds of the formula

  式中的化合物 其中 R1 是苯基、低级烷基或可能被取代的杂环基团或环（低级）烷基； A 是低级亚烷基 n 是 0 或 1 的整数、 R2 是氢或低级烷基 R3 是氢、羟基、卤素、卤代（低级）烷基、低级烷基、低级烷基氨基、酰基氨基、酰基（低级）烷基氨基、低级烷氧基、环（低级）烷基或环（低级）烷氧基，它们可能具有某些取代基： R4 是氢或卤素，以及 R5 是氢或卤素、 条件是 R1 是被低级烷氧基、低级烷基氨基、低级烷硫基、芳氧基、羧基、酯化羧基、羧基（低级）烷基或酯化羧基（低级）烷基取代的苯基； 被羧基或酯化羧基取代的低级烷基； 或被低级烷基取代的杂环基团、 当 R3 为氢或卤素时，及其药学上可接受的盐、 它们的制备工艺和包含它们的药物组合物。本发明还涉及式如下的中间体化合物
• US4889851A
  申请人：——

  公开号：US4889851A

  公开（公告）日：1989-12-26