[2-(3-{4-[(4aS,8aR)-4-(3,4-Dimethoxy-phenyl)-1-oxo-4a,5,8,8a-tetrahydro-1H-phthalazin-2-yl]-piperidin-1-yl}-3-oxo-propylsulfanyl)-ethyl]-carbamic Acid Tert Butyl Ester | 380227-18-9

• 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: [2-(3-{4-[(4aS,8aR)-4-(3,4-Dimethoxy-phenyl)-1-oxo-4a,5,8,8a-tetrahydro-1H-phthalazin-2-yl]-piperidin-1-yl}-3-oxo-propylsulfanyl)-ethyl]-carbamic Acid Tert Butyl Ester
• 英文别名: [2-(3-{4-[(4As,8ar)-4-(3,4-dimethoxy-phenyl)-1-oxo-4a,5,8,8a-tetrahydro-1h-phthalazin-2-yl]-piperidin-1-yl}-3-oxo-propylsulfanyl)-ethyl]-carbamic acid tert butyl ester；tert-butyl N-[2-[3-[4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidin-1-yl]-3-oxopropyl]sulfanylethyl]carbamate
• CAS: 380227-18-9
• 化学式: C₃₁H₄₄N₄O₆S
• 分子量: 600.78
• InChiKey: CTGMQKTWAPRZCT-BJKOFHAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  42
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  135
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3-(2-Tert-butoxycarbonylamino-ethylsulfanyl)-propionic acid 、 (4aS,8aR)-4-(3,4-dimethoxy-phenyl)-2-piperidin-4-yl-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one 、 (4-{4-[(4aS,8aR)-4-(3,4-Dimethoxy-phenyl)-1-oxo-4a,5,8,8a-tetrahydro 1H-Phthalazin-2-yl]-piperidin-1-yl}-4-oxo-butyl)-carbamic Acid Tert Butyl Ester 生成 [2-(3-{4-[(4aS,8aR)-4-(3,4-Dimethoxy-phenyl)-1-oxo-4a,5,8,8a-tetrahydro-1H-phthalazin-2-yl]-piperidin-1-yl}-3-oxo-propylsulfanyl)-ethyl]-carbamic Acid Tert Butyl Ester
  参考文献：
  名称：

  Compounds effective as beta-2 adrenoreceptor agonists as well pde4-inhibitors

  摘要：

  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。

  公开号：

  US20030195215A1

文献信息

• Compounds effective as β2-adrenoreceptor agonists as well as PDE4-inhibitors
  申请人：Sterk Geert Jan

  公开号：US06933296B2

  公开（公告）日：2005-08-23

  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

  式I的化合物中，其中Ar1，A，R6，R7，R8和Ar2的含义如描述中所述，是新颖有效的支气管治疗药物。
• 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。