(4aS,8aR)-2-{1-[3-(2-amino-ethylsulfanyl)-propanoyl]-piperidin-4-yl}-4-(3,4-dimethoxy-phenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one | 380227-17-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (4aS,8aR)-2-{1-[3-(2-amino-ethylsulfanyl)-propanoyl]-piperidin-4-yl}-4-(3,4-dimethoxy-phenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
• 英文别名: (4aS,8aR)-2-[1-[3-(2-aminoethylsulfanyl)propanoyl]piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
• CAS: 380227-17-8
• 化学式: C₂₆H₃₆N₄O₄S
• 分子量: 500.662
• InChiKey: IBVWOCYYNDUFJP-LEWJYISDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  123
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• [EN] PIPERIDINE-PYRIDAZONES AND PHTHALAZONES AS PDE4 INHIBITORS<br/>[FR] PIPERIDINE-PYRIDAZONES ET PHTHALAZONES EN TANT QU'INHIBITEURS DE PDE4
  申请人：ALTANA PHARMA AG

  公开号：WO2004017974A1

  公开（公告）日：2004-03-04

  The compounds of a certain formula 1, in which the given substituents have the meanings as indicated in the description, are novel effective PDE4 inhibitors.

  某种化学式为1的化合物，其中给定的取代基具有描述中所示的含义，是新颖有效的PDE4抑制剂。
• Piperidine-pyridazones and phthalazones as pde4 inhibitors
  申请人：Sterk Geert Jan

  公开号：US20060094710A1

  公开（公告）日：2006-05-04

  The compounds of a certain formula 1, in which the given substituents have the meanings as indicated in the description, are novel effective PDE4 inhibitors.

  某种化学式为1的化合物，其中给定的取代基具有描述中指定的含义，是新颖有效的PDE4抑制剂。
• Compounds effective as beta-2 adrenoreceptor agonists as well pde4-inhibitors
  申请人：——

  公开号：US20030195215A1

  公开（公告）日：2003-10-16

  The compounds of formula I in which Ar 1 , A, R6, R7, R8 and Ar 2 have the meanings as given in the description are novel effective bronchial therapeutics. 1

  式I的化合物中，其中Ar1、A、R6、R7、R8和Ar2的含义如描述所示，是一种新型有效的支气管治疗剂。
• COMPOUNDS EFFECTIVE AS BETA-2-ADRENORECEPTOR AGONISTS AS WELL AS PDE4-INHIBITORS
  申请人：ALTANA Pharma AG

  公开号：EP1296956A1

  公开（公告）日：2003-04-02
• PIPERIDINE-PYRIDAZONES AND PHTHALAZONES AS PDE4 INHIBITORS
  申请人：ALTANA Pharma AG

  公开号：EP1556049A1

  公开（公告）日：2005-07-27