6-Chloro-2-hexanesulfonyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one | 112588-10-0

• 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: 6-Chloro-2-hexanesulfonyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one
• 英文别名: 5H-a1,a3,a4-aThiadiazolo[3,a2-aa]apyrimidin-a5-aone, 6-achloro-a2-a(hexylsulfonyl)a-；6-chloro-2-hexylsulfonyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• CAS: 112588-10-0
• 化学式: C₁₁H₁₄ClN₃O₃S₂
• 分子量: 335.835
• InChiKey: WOVSBNRCOCBUOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• Decahydro-8H-isoquino[2,1-g][1,6]naphthyridine and decahydrobenzo[a]pyrrolo[2,3-e]quinolizine derivatives
  申请人：SYNTEX (U.S.A.) INC.

  公开号：EP0524004A1

  公开（公告）日：1993-01-20

  Compounds of the formula wherein:    X and Y are independently hydrogen; hydroxy; lower alkyl of 1-6 carbon atoms; lower alkoxy of 1-6 carbon atoms; or halo; or X and Y when adjacent and taken together are methylenedioxy or ethylene-1,2-dioxy;    R is lower alkyl of 1-6 carbon atoms; cycloalkyl of 3-8 carbon atoms; phenyl or phenyl lower alkyl in which any phenyl group may be optionally substituted by one or two substituents chosen from the group consisting of halo, lower alkyl of 1-4 carbon atoms and lower alkoxy of 1-4 carbon atoms; or -ANHSO₂R¹; wherein A is lower alkylene of 1-6 carbon atoms; and R¹ is lower alkyl of 1-6 carbon atoms or -NR²R³; wherein       R² and R³ are independently hydrogen or lower alkyl of 1-6 carbon atoms, or R² and R³ taken together are cycloalkyl of 3-8 carbon atoms; and    n is 1 or 2;    and the pharmaceutically acceptable salts thereof, are useful as α₂-adrenoceptor antagonists, in particular as peripherally selective α₂ -adrenoceptor antagonists.

  该式化合物中：X和Y分别是氢；羟基；1-6个碳原子的低烷基；1-6个碳原子的低烷氧基；或卤素；或当相邻时一起取为亚甲二氧基或乙烯-1,2-二氧基；R是1-6个碳原子的低烷基；3-8个碳原子的环烷基；苯基或苯基低烷基，其中任何苯基可以选择性地被来自卤素、1-4个碳原子的低烷基和1-4个碳原子的低烷氧基的一种或两种取代基取代；或-ANHSO₂R¹；其中A是1-6个碳原子的低烷基；R¹是1-6个碳原子的低烷基或-NR²R³；其中R²和R³分别是氢或1-6个碳原子的低烷基，或R²和R³一起取为3-8个碳原子的环烷基；n为1或2；以及其药用盐，可用作α₂-肾上腺素受体拮抗剂，特别是外周选择性α₂-肾上腺素受体拮抗剂。
• 5H-1,3,4-Thiazole[3,2-a]pyrimidin-5-one derivatives and fungicidal compositions containing the same
  申请人：KUMIAI CHEMICAL INDUSTRY CO., LTD.

  公开号：EP0238059A2

  公开（公告）日：1987-09-23

  A class of novel 5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one derivatives are disclosed. These compounds exhibit remarkable fungicidal activities for pathogenic fungi of cucumber gray mold, cucumber downy mildew, Altemaria sooty spot of Chinese mustard, apple Alternaria leaf spot, pear black spot, rice blast, tomato late blight, etc.

  本研究公开了一类新型 5H-1,3,4-噻二唑并[3,2-a]嘧啶-5-酮衍生物，这些化合物对黄瓜灰霉病、黄瓜霜霉病、芥菜褐斑病、苹果叶斑病、梨黑斑病、稻瘟病、番茄晚疫病等病原真菌具有显著的杀菌活性。
• 5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one derivatives and fungicidal compositions containing the same
  申请人：KUMIAI CHEMICAL INDUSTRY CO., LTD.

  公开号：EP0282635A2

  公开（公告）日：1988-09-21

  A class of novel 5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one derivatives are disclosed. These compounds exhibit remarkable fungicidal activities for pathogenic fungi of cucumber gray mold, cucumber downy mildew, Alternaria sooty spot of Chinese mustard, apple Alternaria leaf spot, pear black spot, rice blast, tomato late blight, etc.

  本研究公开了一类新型 5H-1,3,4-噻二唑并[3,2-a]嘧啶-5-酮衍生物。这些化合物对黄瓜灰霉病、黄瓜霜霉病、芥菜交替煤烟病、苹果交替叶斑病、梨黑斑病、稻瘟病、番茄晚疫病等病原真菌具有显著的杀菌活性。
• Sulfonyldecahydro-8H-isoquino[2,1-g][1,6]naphthyridines, optical isomers thereof and related compounds
  申请人：SYNTEX (U.S.A.) INC.

  公开号：EP0288196B1

  公开（公告）日：1993-07-28
• US4866064A
  申请人：——

  公开号：US4866064A

  公开（公告）日：1989-09-12