(2R,4aR,10bR)-6-(2-dimethylamino-4-methoxy-pyrimidin-5-yl)-9-ethoxy-8-methoxy-1,2, 3,4,4a,10b-hexahydro-phenanthridin-2-ol | 864740-32-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (2R,4aR,10bR)-6-(2-dimethylamino-4-methoxy-pyrimidin-5-yl)-9-ethoxy-8-methoxy-1,2, 3,4,4a,10b-hexahydro-phenanthridin-2-ol
• 英文别名: (2R,4aR,10bR)-6-(2-dimethylamino-4-methoxy-pyrimidin-5-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydro-phenanthridin-2-ol；(2R,4aR,10bR)-6-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
• CAS: 864740-32-9
• 化学式: C₂₃H₃₀N₄O₄
• 分子量: 426.516
• InChiKey: SYFJZKLGTLHHLP-DDUZABMNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  89.3
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (2R,4aR,10bR)-6-(2-dimethylamino-4-methoxy-pyrimidin-5-yl)-9-ethoxy-8-methoxy-1,2, 3,4,4a,10b-hexahydro-phenanthridin-2-ol 、 富马酸 以 丙酮 、 异丙醇 为溶剂， 以to obtain 30.9 mg (57%) of the Utle compound (m. p.: 123° C.)的产率得到(2R,4aR,10bR)-6-(2-dimethylamino-4-methoxy-pyrimidin-5-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydro-phenanthridin-2-ol fumarate
  参考文献：
  名称：

  Salts of 6-heterocycle substituted hexahydrophenanthridine derivatives

  摘要：

  本文披露了6-杂环芳基取代的六氢苯并三唑磷酸酯酶4（PDE4）抑制剂化合物的盐，可用于制备药物组合物，在制药工业中应用。

  公开号：

  US08754218B2

文献信息

• [EN] NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS<br/>[FR] NOUVEAUX DÉRIVÉS DE HYDROXY-6-HÉTÉROARYLPHÉNANTHRIDINE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE PDE4
  申请人：ALTANA PHARMA AG

  公开号：WO2005085225A1

  公开（公告）日：2005-09-15

  Compounds of formula (I), in which R1 is hydroxyl, 1-4C-alkoxy, 3-7C-cycloalkoxy, 3-7C-cycloalkylmethoxy, 2,2-difluoroethoxy, or completely or predominantly fluorine-substituted 1-4C-alkoxy, R2 is hydroxyl, 1-4C-alkoxy, 3-7C-cycloalkoxy, 3-7C-cycloalkylmethoxy, 2,2-difluoroethoxy, or completely or predominantly fluorine-substituted 1-4C-alkoxy, or in which R1 and R2 together are a 1-2C-alkylenedioxy group, R3 is hydrogen or 1-4C-alkyl, R31 is hydrogen or 1-4C-alkyl, either, in a first embodiment (embodiment a) according to the present invention, R4 is -O-R41, in which R41 is hydrogen, 1-4C-alkyl, 1-4C-alkoxy-1-4C-alkyl, hydroxy-2-4C-alkyl, 1-7C-alkylcarbonyl, or completely or predominantly fluorine-substituted 1-4C-alkyl, and R5 is hydrogen or 1-4C-alkyl, or, in a second embodiment (embodiment b) according to the present invention, R4 is hydrogen or 1-4C-alkyl, and R5 is -O-R51, in which R51 is hydrogen, 1-4C-alkyl, 1-4C-alkoxy-1-4C-alkyl, hydroxy-2-4C-alkyl, 1-7C-alkylcarbonyl, or completely or predominantly fluorine-substituted 1-4C-alkyl, Har is optionally substituted by R6 and/or R7 and/or R8, and is a 5- to 10-membered monocylic or fused bicyclic unsaturated or partially saturated heteroaryl radical comprising 1 to 4 heteroatoms selected independently from the group consisting of oxygen, nitrogen and sulfur, are novel effective PDE4 inhibitors.

  公式（I）中的化合物，其中R1是羟基，1-4C-烷氧基，3-7C-环氧基，3-7C-环烷基甲氧基，2,2-二氟乙氧基，或完全或主要氟代的1-4C-烷氧基，R2是羟基，1-4C-烷氧基，3-7C-环氧基，3-7C-环烷基甲氧基，2,2-二氟乙氧基，或完全或主要氟代的1-4C-烷氧基，或者R1和R2一起是1-2C-烷二氧基基团，R3是氢或1-4C-烷基，R31是氢或1-4C-烷基，在本发明的第一实施例（实施例a）中，R4是-O-R41，其中R41是氢，1-4C-烷基，1-4C-烷氧基-1-4C-烷基，羟基-2-4C-烷基，1-7C-烷基羰基，或完全或主要氟代的1-4C-烷基，而R5是氢或1-4C-烷基，或者在本发明的第二实施例（实施例b）中，R4是氢或1-4C-烷基，而R5是-O-R51，其中R51是氢，1-4C-烷基，1-4C-烷氧基-1-4C-烷基，羟基-2-4C-烷基，1-7C-烷基羰基，或完全或主要氟代的1-4C-烷基，Har可选地由R6和/或R7和/或R8取代，并且是包含1至4个异原子（独立选择自氧、氮和硫组成的）的5-到10-成员单环或融合的双环不饱和或部分饱和杂环基团，是新颖的有效PDE4抑制剂。
• Novel Salts of 6-Heterocycle Substituted Hexahydrophenanthridine Derivatives
  申请人：Kautz Ulrich

  公开号：US20080194587A1

  公开（公告）日：2008-08-14

  The invention relates to salts of 6-heteroaryl substituted hexahydrophenanthridine PDE4-inhibiting compounds, which can be used in the pharmaceutical industry for the production of pharmaceutical compositions for use, e.g., in treatment of airway disorders.

  本发明涉及6-杂环芳基取代的六氢苯并三唑磷酸酯（PDE4）抑制剂化合物的盐，可用于制备制药组合物，例如用于治疗呼吸道疾病的制药组合物。
• Novel Hydroxy-6-Heteroarylphenanthridines and Their Use as Pde4 Inhibitors
  申请人：Kautz Ulrich

  公开号：US20080167301A1

  公开（公告）日：2008-07-10

  Compounds of the formula I in which the substituents have the definitions provided in the specification, are novel, effective PDE4 inhibitors.

  式I的化合物，其中取代基具有规范中提供的定义，是新颖、有效的PDE4抑制剂。
• Novel salts of 6-heterocycle substituted hexahydrophenanthridine derivatives
  申请人：Kautz Ulrich

  公开号：US20100190818A1

  公开（公告）日：2010-07-29

  The invention relates to salts of 6-heteroaryl substituted hexahydrophenanthridine PDE4 inhibiting compounds, which can be used in the pharmaceutical industry for the production of pharmaceutical composition for use, e.g., in treatment of airway disorders.

  本发明涉及6-杂环芳基取代的六氢苯并三唑磷酸酯抑制化合物的盐，可用于制备制药组合物，例如用于治疗呼吸道疾病的制药组合物。
• NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS
  申请人：KAUTZ Ulrich

  公开号：US20110257221A1

  公开（公告）日：2011-10-20

  Compounds of the formula Ia***** in which the substituents have the definitions provided in the specification, are novel, effective PDE4 inhibitors.

  公式为Ia*****的化合物，其中取代基具有规范中提供的定义，是新颖有效的PDE4抑制剂。