2-(2-Aminoethyl)pyridazin-3-one | 215524-17-7

• 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-(2-Aminoethyl)pyridazin-3-one
• CAS: 215524-17-7
• 化学式: C₆H₉N₃O
• 分子量: 139.157
• InChiKey: WCTKTNLZDXKQNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  58.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-氯嘌呤核苷 、 2-(2-Aminoethyl)pyridazin-3-one 在 三乙胺 作用下， 以 乙醇 为溶剂， 以60%的产率得到2-[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]ethyl]pyridazin-3-one
  参考文献：
  名称：

  Adenosine receptors: synthesis, structure-activity relationships and biological activity of new 6-amino purine derivatives

  摘要：

  The synthesis and evaluation of the biological activity of a series of pyridazin-3(2H)-one derivatives is reported. The compounds were tested in radioligand binding assays for affinity at A(1) and A(2A) adenosine receptors in bovine brain cortical membranes, and bovine brain striatal membranes, respectively. None of the compounds shows any affinity towards A(2A) receptor, while compounds in which the 6-chloro-pyridazin-3(2H)-one or 6-phenyl-pyridazin-3(2H)-one group is linked through a chain of two carbon atoms in the 6 position of the adenosine, show a good affinity towards A(1) adenosine receptor, particularly compound 8 in which a phenyl-pyridazinone group is present shows highest affinity with K-i values 6.6 nM. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(98)80050-0
• 作为产物：
  描述：

  3-哒嗪酮 、 N-(2-溴乙基)邻苯二甲酰亚胺 在 potassium carbonate 、 一水合肼 作用下， 生成 2-(2-Aminoethyl)pyridazin-3-one
  参考文献：
  名称：

  Adenosine receptors: synthesis, structure-activity relationships and biological activity of new 6-amino purine derivatives

  摘要：

  The synthesis and evaluation of the biological activity of a series of pyridazin-3(2H)-one derivatives is reported. The compounds were tested in radioligand binding assays for affinity at A(1) and A(2A) adenosine receptors in bovine brain cortical membranes, and bovine brain striatal membranes, respectively. None of the compounds shows any affinity towards A(2A) receptor, while compounds in which the 6-chloro-pyridazin-3(2H)-one or 6-phenyl-pyridazin-3(2H)-one group is linked through a chain of two carbon atoms in the 6 position of the adenosine, show a good affinity towards A(1) adenosine receptor, particularly compound 8 in which a phenyl-pyridazinone group is present shows highest affinity with K-i values 6.6 nM. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(98)80050-0

文献信息

• Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents
  申请人：Ohrai Kazuhiko

  公开号：US20080004262A1

  公开（公告）日：2008-01-03

  This invention relates to benzopyran derivatives of formula (I) or (II), or pharmaceutically acceptable salts thereof wherein R 1 and R 2 are independently of each other hydrogen atom, C 1-6 alkyl group or C 6-14 aryl group, R 3 is hydrogen atom or C 1-6 alkylcarbonyloxy group, or together with R 4 forms a bond, R 4 is hydrogen atom, or together with R 3 forms a bond, m is an integer of 0 to 4, n is an integer of 0 to 4, V is a single bond, CR 7 R 8 , NR 9 , O, S, SO or SO 2 , R 5 is hydrogen atom or C 1-6 alkyl group, R 6 is hydrogen atom, C 1-6 alkyl group, C 3-8 cycloalkyl group, C 3-8 cycloalkenyl group, amino group, C 1-6 alkylamino group, di-C 1-6 alkylamino group, C 6-14 arylamino group, C 2-9 heteroarylamino group, C 6-14 aryl group, C 2-9 heteroaryl group or C 2-9 heterocyclyl group, A is 5-, 6- or 7-member ring fused with benzene ring, as constituent atom of the ring, oxygen atom, nitrogen atom or sulfur atom may be contained in the number of 1 to 3 alone or in a combination thereof, the number of unsaturated bond in the ring is 1, 2 or 3 including an unsaturated bond of the benzene ring to be fused, carbon atoms constituting the ring may be carbonyl or thiocarbonyl. These compounds are useful as an anti-arrhythmic agent.

  本发明涉及式（I）或（II）的苯并吡喃衍生物，或其药学上可接受的盐，其中R1和R2独立地为氢原子，C1-6烷基或C6-14芳基；R3为氢原子或C1-6烷基羰氧基，或与R4一起形成键；R4为氢原子，或与R3一起形成键；m为0至4的整数，n为0至4的整数，V为单键，CR7R8，NR9，O，S，SO或SO2；R5为氢原子或C1-6烷基，R6为氢原子，C1-6烷基，C3-8环烷基，C3-8环烯基，氨基，C1-6烷基氨基，二C1-6烷基氨基，C6-14芳基氨基，C2-9杂芳基氨基，C6-14芳基，C2-9杂芳基或C2-9杂环烷基；A为与苯环融合的5、6或7元环，作为环的组成原子，其中单独或组合存在1至3个氧原子、氮原子或硫原子，环中不饱和键的数量为1、2或3，包括与苯环融合的不饱和键，构成环的碳原子可以是羰基或硫代羰基。这些化合物可用作抗心律失常药物。
• Tricyclic benzopyrane compound
  申请人：Ohrai Kazuhiko

  公开号：US20100069374A1

  公开（公告）日：2010-03-18

  This invention relates to benzopyran derivatives of formula (I) or (II), or pharmaceutically acceptable salts thereof wherein R 1 and R 2 are independently of each other hydrogen atom, C 1-6 alkyl group or C 6-14 aryl group, R 3 is hydrogen atom or C 1-6 alkylcarbonyloxy group, or together with R 4 forms a bond, R 4 is hydrogen atom, or together with R 3 forms a bond, m is an integer of 0 to 4, n is an integer of 0 to 4, V is a single bond, CR 7 R 8 , NR 9 , O, S, SO or SO 2 , R 5 is hydrogen atom or C 1-6 alkyl group, R 6 is hydrogen atom, C 1-6 alkyl group, C 3-8 cycloalkyl group, C 3-8 cycloalkenyl group, amino group, C 1-6 alkylamino group, di-C 1-6 alkylamino group, C 6-14 arylamino group, C 2-9 heteroarylamino group, C 6-14 aryl group, C 2-9 heteroaryl group or C 2-9 heterocyclyl group, A is 5-, 6- or 7-member ring fused with benzene ring, as constituent atom of the ring, oxygen atom, nitrogen atom or sulfur atom may be contained in the number of 1 to 3 alone or in a combination thereof, the number of unsaturated bond in the ring is 1, 2 or 3 including an unsaturated bond of the benzene ring to be fused, carbon atoms constituting the ring may be carbonyl or thiocarbonyl. These compounds are useful as an anti-arrhythmic agent.

  本发明涉及公式（I）或（II）的苯并吡喃衍生物或其药学上可接受的盐， 其中R1和R2独立地是氢原子，C1-6烷基或C6-14芳基，R3是氢原子或C1-6烷基羰氧基，或与R4一起形成键，R4是氢原子，或与R3一起形成键，m是0到4的整数，n是0到4的整数，V是单键，CR7R8，NR9，O，S，SO或SO2，R5是氢原子或C1-6烷基，R6是氢原子，C1-6烷基，C3-8环烷基，C3-8环烯基，氨基，C1-6烷基氨基，双C1-6烷基氨基，C6-14芳基氨基，C2-9杂芳基氨基，C6-14芳基，C2-9杂芳基或C2-9杂环烷基，A是与苯环融合的5、6或7成员环，作为环的组成原子，其中含有1到3个氧原子，氮原子或硫原子，或其组合，环中不饱和键的数量为1、2或3，包括与苯环融合的不饱和键，构成环的碳原子可以是羰基或硫代羰基。这些化合物可用作抗心律失常剂。
• US7652008B2
  申请人：——

  公开号：US7652008B2

  公开（公告）日：2010-01-26
• US7964623B2
  申请人：——

  公开号：US7964623B2

  公开（公告）日：2011-06-21