| 298680-38-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• CAS: 298680-38-3
• 化学式: C₃₃H₃₂N₄O₅
• 分子量: 564.63
• InChiKey: IZGVQNHSBPKKRO-RIHQVDFKSA-N

物化性质

• 沸点：
  758.8±70.0 °C(Predicted)
• 密度：
  1.31±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.34
• 重原子数：
  42.0
• 可旋转键数：
  6.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  95.13
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  以96的产率得到9,10-Dimethoxy-2-(2,4,6-trimethylphenylimino)-3-(2-aminoethyl)-3,4,6,7-tetrahydro-2H-pyrimido[6,1-a]isoquinolin-4-one
  参考文献：
  名称：

  Derivatives of pyrimido[6,1-a]isoquinolin-4-one

  摘要：

  通式（I）的化合物，其中R1和R2分别独立地表示C1-6烷基或C2-7酰基基团；R5表示氢原子或C1-3烷基，C2-3烯基或C2-3炔基基团；R6表示氢原子或C1-6烷基，C2-6烯基，C2-6炔基，氨基，C1-6烷基氨基，二（C1-6）烷基氨基或C2-7酰氨基基团，R7和R8分别独立地表示氢或卤素原子或羟基，三氟甲基，C1-6烷基，C2-6烯基，C2-6炔基，C2-7酰，C1-6烷硫基，C1-6烷氧基，C3-6环烷基；R9表示氢或卤素原子或羟基，三氟甲基，C1-6烷基，C2-6烯基，C2-6炔基，C2-7酰，C1-6烷硫基，C1-6烷氧基或C3-6环烷基；X表示OCH2或CR3R4基团，其中R3和R4分别独立地表示氢原子或C1-3烷基；R10和R11分别独立地表示氢原子，C1-3烷基，C3-6环烷基或苯基；y表示氧原子或CHNO2，NCN，NH或NNO2基团，n为2到4的整数；或其盐；对于治疗哮喘等呼吸系统疾病有用。本发明的化合物比已知的trequinsin（9,10-二甲氧基-3-甲基-2-间苯基亚胺基-2,3,6,7-四氢-4H-嘧啶并[6,1-a]-异喹啉-4-酮）具有更长的作用时间，并且不具有trequinsin的非常苦的味道。

  公开号：

  US07105663B2
• 作为产物：
  描述：

  2,4,6-三甲基苯胺 在 potassium carbonate 、 sodium iodide 作用下， 以 氯苯 、 异丙醇 、 甲苯 为溶剂， 反应 44.0h， 生成
  参考文献：
  名称：

  SOLID STATE FORMS OF ENSIFENTRINE

  摘要：

  The present invention relates to solid state forms of Ensifentrine and methods for preparation, use and isolation of such compounds and novel process for the preparation of Ensifentrine. The present invention further relates to an improved, cost effective and industrially viable process for preparation of Ensifentrine.

  公开号：

  WO2024127413A1

文献信息

• Derivatives of pyrimido[6.1-a]isoquinolin-4-one
  申请人：——

  公开号：US20030036542A1

  公开（公告）日：2003-02-20

  The invention provides compounds or salts thereof of the general formula (I): 1 wherein each of R 1 and RX independently represents a C 1-6 alkyl or C 2-7 acyl group; X represents OCH 2 or a group CR 3 R 4 ; wherein each of R 3 or R 4 independently represents a hydrogen atom or a C 1-3 alkyl group; R 5 represents a hydrogen atom or a C 1-3 alkyl, C 2-3 alkenyl or C 2-3 alkynyl group; R 6 represents a hydrogen atom or a C 1-6 alkyl, C 2-6 alkenyl, C 2-6 alkynyl, amino, C 1-6 alkylamino, di(C 1-6 ) alkylamino or C 2-7 acylamino group; each of R 7 and R 8 independently represents a hydrogen or halogen atom or a hydroxy, trifluoromethyl, C 1-6 alkyl, C 2-6 alkenyl, C 2-6 alkynyl, C 2-7 acyl, C 1-6 alkylthio, C 1-6 alkoxy, C 3-6 cycloalkyl; and R 9 represents a hydrogen or halogen atom or a hydroxy, trifluoromethyl, C 1-6 alkyl, C 2-6 alkenyl, C 2-6 alkynyl, C 2-7 acyl, C 1-6 alkylthio, C 1-6 alkoxy or C 3-6 cycloalkyl group. The compounds or salts thereof are useful for treatment of respiratory disorders such as asthma. Compounds of the invention have a longer duration of action than the known compound trequinsin (9,10-dimethoxy-3 methyl-2-mesitylimino-2,3,6,7-tetrahydro- 4 -H-pyrimido[6,1-a]isoquinolin-4-one).

  该发明提供了通式（I）的化合物或其盐： 其中，R1和RX分别独立表示C1-6烷基或C2-7酰基；X表示OCH2或CR3R4基团；R3或R4分别独立表示氢原子或C1-3烷基；R5表示氢原子或C1-3烷基、C2-3烯基或C2-3炔基；R6表示氢原子或C1-6烷基、C2-6烯基、C2-6炔基、氨基、C1-6烷基氨基、二（C1-6）烷基氨基或C2-7酰氨基；R7和R8分别独立表示氢或卤素原子、羟基、三氟甲基、C1-6烷基、C2-6烯基、C2-6炔基、C2-7酰基、C1-6烷基硫基、C1-6烷氧基、C3-6环烷基；R9表示氢或卤素原子、羟基、三氟甲基、C1-6烷基、C2-6烯基、C2-6炔基、C2-7酰基、C1-6烷基硫基、C1-6烷氧基或C3-6环烷基。该化合物或其盐可用于治疗哮喘等呼吸系统疾病。该发明的化合物比已知的化合物特雷昆辛（9,10-二甲氧基-3-甲基-2-间二甲苯亚基-2,3,6,7-四氢-4H-嘧啶并［6,1-a］异喹啉-4-酮）具有更长的作用持续时间。
• [EN] DERIVATIVES OF PYRIMIDO[6,1-a]ISOQUINOLIN-4-ONE<br/>[FR] DERIVES DE PYRIMIDO [6,1-A] ISOQUINOLEIN-4-ONE ET LEUR UTILISATION EN MEDECINE
  申请人：VANGUARD MEDICA LTD

  公开号：WO2000058308A1

  公开（公告）日：2000-10-05

  Compounds of general formula (I) wherein each of R?1 and R2¿ independently represents a C¿1-6? alkyl or C2-7 acyl group; R?5¿ represents a hydrogen atom or a C¿1-3? alkyl, C2-3 alkenyl or C2-3 alkynyl group; R?6¿ represents a hydrogen atom or a C¿1-6? alkyl, C2-6 alkenyl, C2-6 alkynyl, amino, C1-6 alkylamino, di(C1-6) alkylamino or C2-7 acylamino group; each of R?7 and R8¿ independently represents a hydrogen or halogen atom or a hydroxy, trifluoromethyl, C¿1-6? alkyl, C2-6 alkenyl, C2-6 alkynyl, C2-7 acyl, C1-6 alkythio, C1-6 alkoxy, C3-6 cycloalkyl; and R?9¿ represents a hydrogen or halogen atom or a hydroxy, trifluoromethyl, C¿1-6? alkyl, C2-6 alkenyl, C2-6 alkynyl, C2-7 acyl, C1-6 alkythio, C1-6 alkoxy or C3-6 cycloalkyl group; X represents OCH2 or a group CR?3R4¿, wherein each of R?3 and R4¿ independently represents a hydrogen atom or a C¿1-3? alkyl group; each of R?10 and R11¿ independently represents a hydrogen atom, a C¿1-3? alkyl, C3-6 cycloalkyl or phenyl group; y represents an oxygen atom or a group CHNO2, NCN, NH or NNO2, n is an integer from 2 to 4; or a salt thereof; are useful for treatment of respiratory disorders such as asthma. Compounds of the invention have a longer duration of action than the known compound trequinsin (9, 10-dimethoxy-3-methyl-2-mesitylimino-2,3,6,7-tetrahydro-4H-pyrimido[6,1-a]isoquinolin-4-one) and do not have trequinsin's very bitter taste.

  通式（I）的化合物其中R1和R2分别独立地表示C1-6烷基或C2-7酰基基团；R5表示氢原子或C1-3烷基，C2-3烯基或C2-3炔基基团；R6表示氢原子或C1-6烷基，C2-6烯基，C2-6炔基，氨基，C1-6烷基氨基，双（C1-6）烷基氨基或C2-7酰基氨基基团；R7和R8分别独立地表示氢或卤原子或羟基，三氟甲基，C1-6烷基，C2-6烯基，C2-6炔基，C2-7酰基，C1-6烷硫基，C1-6烷氧基，C3-6环烷基；R9表示氢或卤原子或羟基，三氟甲基，C1-6烷基，C2-6烯基，C2-6炔基，C2-7酰基，C1-6烷硫基，C1-6烷氧基或C3-6环烷基基团；X表示OCH2或CR3R4基团，其中R3和R4分别独立地表示氢原子或C1-3烷基基团；R10和R11分别独立地表示氢原子，C1-3烷基，C3-6环烷基或苯基；y表示氧原子或CHNO2，NCN，NH或NNO2基团，n为2到4的整数；或其盐；用于治疗哮喘等呼吸系统疾病。与已知化合物trequinsin（9,10-二甲氧基-3-甲基-2-二苯基亚胺-2,3,6,7-四氢-4H-嘧啶[6,1-a]异喹啉-4-酮）相比，本发明化合物具有更长的作用时间，并且不具有trequinsin非常苦的味道。
• Derivatives of pyrimido[6, 1-A]isoquinolin-4-one
  申请人：Oxford Alexander William

  公开号：US20080206163A1

  公开（公告）日：2008-08-28

  Compounds of general formula (I) wherein each of R 1 and R 2 independently represents a C 1-6 alkyl or C 2-7 acyl group; R 5 represents a hydrogen atom or a C 1-3 alkyl, C 2-3 alkenyl or C 2-3 alkynyl group; R 6 represents a hydrogen atom or a C 1-6 alkyl, C 2-6 alkenyl, C 2-6 alkynyl, amino, C 1-6 alkylamino, di(C 1-6 ) alkylamino or C 2-7 acylamino group; each of R 7 and R 8 independently represents a hydrogen or halogen atom or a hydroxy, trifluoromethyl, C 1-6 alkyl, C 2-6 alkenyl, C 2-6 alkynyl, C 2-7 acyl, C 1-6 alkythio, C 1-6 alkoxy, C 3-6 cycloalkyl; and R 9 represents a hydrogen or halogen atom or a hydroxy, trifluoromethyl, C 1-6 alkyl, C 2-6 alkenyl, C 2-6 alkynyl, C 2-7 acyl, C 1-6 alkythio, C 1-6 alkoxy or C 3-6 cycloalkyl group; X represents OCH 2 or a group CR 3 R 4 , wherein each of R 3 and R 4 independently represents a hydrogen atom or a C 1-3 alkyl group; each of R 10 and R 11 independently represents a hydrogen atom, a C 1-3 alkyl, C 3-6 cycloalkyl or phenyl group; y represents an oxygen atom or a group CHNO 2 , NCN, NH or NNO 2 , n is an integer from 2 to 4; or a salt thereof; are useful for treatment of respiratory disorders such as asthma. Compounds of the invention have a longer duration of action than the known compound trequinsin (9,10-dimethoxy-3-methyl-2-mesitylimino-2,3,6,7-tetrahydro-4H-pyrimido[6,1-a]isoquinolin-4-one) and do not have trequinsin's very bitter taste.

  通式（I）的化合物，其中R1和R2各自独立地表示C1-6烷基或C2-7酰基基团；R5表示氢原子或C1-3烷基，C2-3烯基或C2-3炔基基团；R6表示氢原子或C1-6烷基，C2-6烯基，C2-6炔基，氨基，C1-6烷基氨基，二（C1-6）烷基氨基或C2-7酰胺基团；R7和R8各自独立地表示氢或卤原子，或羟基，三氟甲基，C1-6烷基，C2-6烯基，C2-6炔基，C2-7酰基，C1-6烷硫基，C1-6烷氧基，C3-6环烷基；R9表示氢或卤原子，或羟基，三氟甲基，C1-6烷基，C2-6烯基，C2-6炔基，C2-7酰基，C1-6烷硫基，C1-6烷氧基或C3-6环烷基；X表示OCH2或CR3R4基团，其中R3和R4各自独立地表示氢原子或C1-3烷基；R10和R11各自独立地表示氢原子，C1-3烷基，C3-6环烷基或苯基；y表示氧原子或CHNO2，NCN，NH或NNO2基团，n为2到4的整数；或其盐；可用于治疗哮喘等呼吸系统疾病。本发明的化合物比已知化合物特雷昆辛（9,10-二甲氧基-3-甲基-2-间苯基亚胺-2,3,6,7-四氢-4H-嘧啶[6,1-a]异喹啉-4-酮）具有更长的作用时间，并且不具有特雷昆辛的非常苦涩的味道。
• DERIVATIVES OF PYRIMIDO [6,1-A] ISOQUINOLIN-4-ONE
  申请人：Oxford Alexander William

  公开号：US20120302533A1

  公开（公告）日：2012-11-29

  The present invention relates to derivatives of pyrimido[6,1-a]isoquinolin-4-one and their application as inhibitors of phosphodiesterase (PDE) isoenzymes. More particularly the invention relates to derivatives of pyrimido[6,1-a]isoquinolin-4-one and their use in medicine for example as bronchodilators with anti-inflammatory properties.

  本发明涉及嘌呤并[6,1-a]异喹啉-4-酮的衍生物及其作为磷酸二酯酶（PDE）同工酶抑制剂的应用。更具体地，本发明涉及嘌呤并[6,1-a]异喹啉-4-酮的衍生物及其在医学上的应用，例如作为具有抗炎作用的支气管扩张剂。
• Compound and process
  申请人：VERONA PHARMA PLC

  公开号：US10710998B2

  公开（公告）日：2020-07-14

  The present invention relates to a novel nitrile derivative of a pyrimido[6,1-a]isoquinolin-4-one compound of formula (A). The invention further relates to a process for producing a compound of formula (A). The invention also relates to a process which comprises reducing a compound of formula (A). Compounds of the invention are useful in the production of compounds such as RPL554.

  本发明涉及一种新型的式(A)嘧啶并[6,1-a]异喹啉-4-酮化合物的腈衍生物。本发明还涉及一种生产式（A）化合物的工艺。本发明还涉及一种包括还原式（A）化合物的工艺。本发明化合物可用于生产 RPL554 等化合物。