2-(4-chlorophenyl)-4-methyl-6-(2-methylpropoxy)-2H-1,2,4-benzothiadiazine-3(4H)-one 1,1-dioxide

• 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-(4-chlorophenyl)-4-methyl-6-(2-methylpropoxy)-2H-1,2,4-benzothiadiazine-3(4H)-one 1,1-dioxide
• 英文别名: 2-(4-chlorophenyl)-4-methyl-6-(2-methylpropoxy)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
• 化学式: C₁₈H₁₉ClN₂O₄S
• 分子量: 394.879
• InChiKey: BILIUFDJUYLRQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  75.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(4-chlorophenyl)-6-hydroxy-4-methyl-2H-1,2,4-benzothiadiazine-3(4H)-one 1,1-dioxide 、 碘代异丁烷 在 potassium carbonate 作用下， 以 formamide 为溶剂， 生成 2-(4-chlorophenyl)-4-methyl-6-(2-methylpropoxy)-2H-1,2,4-benzothiadiazine-3(4H)-one 1,1-dioxide
  参考文献：
  名称：

  Benzothiadiazine compounds, and pharmaceutical composition comprising

  摘要：

  一种化合物的公式：##STR1## 其中R'是苯基，被卤素，较低的烷基，较低的烷氧基，卤代较低的烷基，较低的烷基氨基，较低的烷基硫基，苯氧基，羧基，较低的烷氧羰基，羧基较低的烷基，较低的烷氧羰基，较低的烷基，环较低的烷基; 被羧基或较低的烷氧羰基取代的较低的烷基; 或嘧啶基，吡啶基或被较低的烷基取代的吡啶基; A是较低的烷基; n是0或1的整数; R.sup.2是较低的烷基; R.sup.3是氢; 羟基; 卤素; 卤代较低的烷基; 较低的烷基; 较低的烷基氨基; 较低的酰基氨基; 较低的酰基较低的烷基氨基; 较低的烷氧基; 被苯基，邻酰亚胺基，吡喃基，氨基，羧基，较低的烷氧羰基，环较低的烷基或被氨基较低的烷基或较低的烷氧羰基氨基较低的烷基取代的较低的烷氧基; 或环较低的烷氧基或被羧基或较低的烷氧羰基取代的环较低的烷氧基; R.sup.4是氢或卤素，R.sup.5是氢或卤素，前提是R.sup.1是被较低的烷氧基，较低的烷基氨基，较低的烷基硫基，苯氧基，羧基，较低的烷氧羰基，羧基较低的烷基或较低的烷氧羰基较低的烷基取代的苯基; 被羧基或较低的烷氧羰基取代的较低的烷基; 嘧啶基; 被较低的烷氧羰基取代的吡啶基或被较低的烷基取代的吡啶基; 当R.sup.3为氢或卤素时，或其药学上可接受的盐。这些化合物和含有它们的组合物在骨疾病的治疗中有用。

  公开号：

  US04889851A1

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
• Benzothiadiazine compounds, and pharmaceutical composition comprising
  申请人：Fujisawa Pharmaceutical Co, Ltd.

  公开号：US04889851A1

  公开（公告）日：1989-12-26

  A compound of the formula: ##STR1## wherein R' is phenyl, phenyl which is substituted with halogen, lower alkyl, lower alkoxy, halo lower alkyl, lower alkylamino, lower alkylthio, phenoxy, carboxy, lower alkoxycarbonyl, carboxy lower alkyl, lower alkoxycarbonyl, lower alkyl, cyclo lower alkyl; lower alkyl which is substituted with carboxy or lower alkoxyoxycarbonyl; or pyrimidinyl, pyridyl or pyridyl which is substituted with lower alkyl; A is lower alkylene; n is an integer of 0 or 1; R.sup.2 is lower alkyl; R.sup.3 is hydrogen; hydroxy; halogen; halo lower alkyl; lower alkyl; lower alkylamino; lower alkanoyl amino; lower alkanoyl lower alkylamino; lower alkoxy; lower alkoxy which is substituted with phenyl, phthalimido, pyranyl, amino, carboxy, lower alkoxycarbonyl, cyclo lower alkyl or cyclo lower alkyl which is substituted with amino lower alkyl or lower alkoxycarbonylamino lower alkyl; or cyclo lower alkyloxy or cyclo lower alkyloxy which is substituted with carboxy or lower alkoxycarbonyl; R.sup.4 is hydrogen or halogen, and R.sup.5 is hydrogen or halogen, with the proviso R.sup.1 is phenyl substituted with lower alkoxy, lower alkylamino, lower alkylthio, phenoxy, carboxy, lower alkoxycarbonyl, carboxyl lower alkyl or lower alkoxycarbonyl lower alkyl; lower alkyl or lower alkyl substituted with carboxy or lower alkoxycarbonyl; pyrimidinyl; pyridyl or pyridyl substituted with lower alkyl, when R.sup.3 is hydrogen or halogen, or a pharmaceutically acceptable salt thereof. The compounds and compositions containing the same are useful in the treatment of bone diseases.

  一种化合物的公式：##STR1## 其中R'是苯基，被卤素，较低的烷基，较低的烷氧基，卤代较低的烷基，较低的烷基氨基，较低的烷基硫基，苯氧基，羧基，较低的烷氧羰基，羧基较低的烷基，较低的烷氧羰基，较低的烷基，环较低的烷基; 被羧基或较低的烷氧羰基取代的较低的烷基; 或嘧啶基，吡啶基或被较低的烷基取代的吡啶基; A是较低的烷基; n是0或1的整数; R.sup.2是较低的烷基; R.sup.3是氢; 羟基; 卤素; 卤代较低的烷基; 较低的烷基; 较低的烷基氨基; 较低的酰基氨基; 较低的酰基较低的烷基氨基; 较低的烷氧基; 被苯基，邻酰亚胺基，吡喃基，氨基，羧基，较低的烷氧羰基，环较低的烷基或被氨基较低的烷基或较低的烷氧羰基氨基较低的烷基取代的较低的烷氧基; 或环较低的烷氧基或被羧基或较低的烷氧羰基取代的环较低的烷氧基; R.sup.4是氢或卤素，R.sup.5是氢或卤素，前提是R.sup.1是被较低的烷氧基，较低的烷基氨基，较低的烷基硫基，苯氧基，羧基，较低的烷氧羰基，羧基较低的烷基或较低的烷氧羰基较低的烷基取代的苯基; 被羧基或较低的烷氧羰基取代的较低的烷基; 嘧啶基; 被较低的烷氧羰基取代的吡啶基或被较低的烷基取代的吡啶基; 当R.sup.3为氢或卤素时，或其药学上可接受的盐。这些化合物和含有它们的组合物在骨疾病的治疗中有用。