8-amino-4,4a-duhydro-5H<1>benzopyrano<4,3-c>pyridazin-3(2H)-one | 125068-96-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 8-amino-4,4a-duhydro-5H<1>benzopyrano<4,3-c>pyridazin-3(2H)-one
• 英文别名: 8-Amino-3,4,4a,5-tetrahydro-2H-(1)benzopyrano (4,3-c)pyridazin-3-one；8-Amino-4,4a-dihydro-5H(1)benzopyrano(4,3-c)pyridazin-3(2H)-one；8-amino-2,4,4a,5-tetrahydrochromeno[4,3-c]pyridazin-3-one
• CAS: 125068-96-4
• 化学式: C₁₁H₁₁N₃O₂
• 分子量: 217.227
• InChiKey: SEJQDQSBPLOODO-UHFFFAOYSA-N

物化性质

• 熔点：
  242-245 °C
• 密度：
  1.61±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,3-环戊二酮 、 8-amino-4,4a-duhydro-5H<1>benzopyrano<4,3-c>pyridazin-3(2H)-one 生成 8-[(3-oxocyclopenten-1-yl)amino]-2,4,4a,5-tetrahydrochromeno[4,3-c]pyridazin-3-one
  参考文献：
  名称：

  KUSASEH, YU.;MURAKATA, MASATOSI;MOTIDZUKI, NOBUO;TAKEHBAYASI, MITINORI

  摘要：

  DOI：
• 作为产物：
  描述：

  2'-hydroxy-4'-acetamido-3-benzoyl-propionic acid 在 盐酸 、 sodium hydroxide 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 8-amino-4,4a-duhydro-5H<1>benzopyrano<4,3-c>pyridazin-3(2H)-one
  参考文献：
  名称：

  Synthesis and pharmacological evaluation of 4,4a-dihydro-5H-[1]benzopyrano[4,3-c]pyridazin-3(2H)-ones bioisosters of antihypertensive and antithrombotic benzo[h]cinnolinones

  摘要：

  A series of 4,4a-dihydro-5H-[1]benzopyrano[4,3-c]pyridazin-3-(2H)-ones (2a-h), have been prepared and evaluated for their pharmacological profile as antihypertensive and antithrombotic agents. Compounds 2 were ineffective in lowering the blood pressure of spontaneously hypertensive rats (SHR), only 2c (R1 = NHCOCH3) showing a short lasting action (< 2 h). Compounds 2c and 2b (R1 = NH2) were found to be very active as antithrombotic agents in mice, being more potent than acetylsalicylic acid (ASA) taken as reference drug. Moreover, many derivatives of this class protected rats from formation of ASA or phenylbutazone (PBZ) induced ulcers, the most active being 2f (R2 = OCH3) (ED50 = 12.2 mg/kg and 25.4 mg/kg po in ASA and PBZ models, respectively).

  DOI：

  10.1016/0223-5234(90)90194-8

文献信息

• Pyridazinone derivatives
  申请人：Nippon Soda Co., Ltd.

  公开号：US05110925A1

  公开（公告）日：1992-05-05

  The present invention relates to a compound having the formula below which have an excellent cardiotonic action: ##STR1## wherein Y represents C.sub.1-4 alkylene which may be substituted by C.sub.1-18 alkyl, C.sub.1-5 alkoxy, C.sub.1-5 alkylthio C.sub.1-5 alkyl, C.sub.1-5 alkoxycarbonyl or benzyl, or ##STR2## where each r.sup.1 and r.sup.2 represents hydrogen, C.sub.1-18 alkyl, C.sub.1-5 alkoxy, C.sub.1-5 alkylthio C.sub.1-5 alkyl, C.sub.1-5 alkoxycarbonyl or benzyl); and R.sub.1 represents hydrogen, C.sub.1-5 alkyl which may be substituted by C.sub.1-5 alkoxy, acetyl or C.sub.2-5 alkenyl; and R.sub.2 represents hydrogen or methyl; and each R.sub.3 and R.sub.4 represents hydrogen, halogen, hydroxy, C.sub.1-5 alkyl, or C.sub.1-5 alkoxy; and R.sub.5 represents hydrogen or C.sub.1-5 alkyl which may be substituted by hydroxy; and R.sub.4 and R.sub.5 may form ring by joining each other; and represents single or double bond.

  本发明涉及一种具有下面式的化合物，具有优良的心力作用：##STR1## 其中，Y代表可能被C.sub.1-18烷基，C.sub.1-5烷氧基，C.sub.1-5烷基硫基，C.sub.1-5烷氧羰基或苄基取代的C.sub.1-4烷基，或##STR2## 其中每个r.sup.1和r.sup.2代表氢，C.sub.1-18烷基，C.sub.1-5烷氧基，C.sub.1-5烷基硫基，C.sub.1-5烷氧羰基或苄基）；以及R.sub.1代表氢，可能被C.sub.1-5烷氧基，乙酰基或C.sub.2-5烯基取代的C.sub.1-5烷基；R.sub.2代表氢或甲基；每个R.sub.3和R.sub.4代表氢，卤素，羟基，C.sub.1-5烷基或C.sub.1-5烷氧基；R.sub.5代表氢或可能被羟基取代的C.sub.1-5烷基；R.sub.4和R.sub.5可以通过彼此连接形成环；并且代表单键或双键。
• KUSASEH, YU.;MURAKATA, MASATOSI;MOTIDZUKI, NOBUO;TAKEHBAYASI, MITINORI
  作者：KUSASEH, YU.、MURAKATA, MASATOSI、MOTIDZUKI, NOBUO、TAKEHBAYASI, MITINORI

  DOI：——

  日期：——
• CIGNARELLA, G.;BARLOCCO, D.;CURZU, M. M.;PINNA, G. A.;CAZZULANI, P.;CASSI+, EUR. J. MED. CHEM., 25,(1990) N, C. 749-756
  作者：CIGNARELLA, G.、BARLOCCO, D.、CURZU, M. M.、PINNA, G. A.、CAZZULANI, P.、CASSI+

  DOI：——

  日期：——
• PYRIDAZINONE DERIVATIVES
  申请人：NIPPON SODA CO., LTD.

  公开号：EP0357788A1

  公开（公告）日：1990-03-14
• US5110925A
  申请人：——

  公开号：US5110925A

  公开（公告）日：1992-05-05