2-[4,5-dihydropyridazin-3(2H)-on-6-yl]-5-methoxycarbonylamino-4,5,6,7-tetrahydrobenzo[b]thiophene | 155719-71-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-[4,5-dihydropyridazin-3(2H)-on-6-yl]-5-methoxycarbonylamino-4,5,6,7-tetrahydrobenzo[b]thiophene
• 英文别名: methyl N-[2-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-5-yl]carbamate
• CAS: 155719-71-4
• 化学式: C₁₄H₁₇N₃O₃S
• 分子量: 307.373
• InChiKey: JXJCSYQPYFOWBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Pyridazinone derivatives and processes for preparing the same
  申请人：TANABE SEIYAKU CO., LTD.

  公开号：EP0579059A1

  公开（公告）日：1994-01-19

  Disclosed are a pyridazinone compound represented by the formula:    wherein (1) R¹ is a substituted or unsubstituted C₁₋₁₀ alkyl, a C₃₋₆ cycloalkyl, a lower alkenyl, a heterocyclic group having N, O or S atom or camphor-10-yl; R³ is hydrogen, a substituted or unsubstituted lower alkyl or a lower alkenyl; or R¹ and R³ are bonded at terminal ends thereof to form a lower alkylene; and Z is a group represented by the formula:    where n is 1 or 2; and D is hydrogen or a halogen; or (2) R¹ is a substituted or unsubstituted C₁₋₁₀ alkyl, a substituted or unsubstituted phenyl, a C₃₋₆ cycloalkyl, a lower alkenyl, a heterocyclic group having N, O or S atom or camphor-10-yl; R³ is hydrogen, a substituted or unsubstituted lower alkyl or a lower alkenyl ; or R¹ and R³ are bonded at terminal ends thereof to form a lower alkylene; and Z is a group represented by the formula:    and R² is hydrogen, a substituted or unsubstituted lower alkyl, an aryl or a lower alkenyl; and -A-B- is an ethylene or vinylene each of which may be substituted by 1 or 2 groups selected from the group consisting of a lower alkyl and phenyl group, or a pharmaceutically acceptable salt thereof, and processes for preparing the same.

  本发明公开了一种由式表示的哒嗪酮化合物： 其中(1)R¹是取代或未取代的C₁₋₁₀烷基、C₃₋₆环烷基、低级烯基、具有N、O或S原子的杂环基团或樟脑-10-基；R³ 是氢、取代或未取代的低级烷基或低级烯基；或 R¹ 和 R³ 在其末端键合形成低级亚烷基；以及 Z 是由式表示的基团： 其中 n 为 1 或 2；且 D 为氢或卤素；或 (2) R¹ 为取代或未取代的 C₁₋₁₀ 烷基、取代或未取代的苯基、C₃₋₆ 环烷基、低级烯基、具有 N、O 或 S 原子的杂环基团或樟脑-10-基；R³ 是氢、取代或未取代的低级烷基或低级烯基；或 R¹ 和 R³ 在其末端键合形成低级亚烷基；以及 Z 是由式表示的基团： R²为氢、取代或未取代的低级烷基、芳基或低级烯基；-A-B-为乙烯基或亚乙烯基，其中每个乙烯基或亚乙烯基可被 1 或 2 个选自低级烷基和苯基的基团取代、 或其药学上可接受的盐，以及制备方法。