6-(3-cyclopentyloxy-4-difluoromethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro-6-quinazoline-carbonitrile | 664302-08-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 6-(3-cyclopentyloxy-4-difluoromethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro-6-quinazoline-carbonitrile
• 英文别名: 6-[3-Cyclopentyloxy-4-(difluoromethoxy)phenyl]-4-oxo-3,5,7,8-tetrahydroquinazoline-6-carbonitrile
• CAS: 664302-08-3
• 化学式: C₂₁H₂₁F₂N₃O₃
• 分子量: 401.413
• InChiKey: SYQTWPPCKZDTMW-UHFFFAOYSA-N

物化性质

• 沸点：
  564.0±60.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  83.7
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• [EN] CONDENSED HETEROCYCLIC COMPOUNDS AS PDE-IV INHIBITORS FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS<br/>[FR] COMPOSES CONDENSES HETEROCYCLIQUES UTILISES COMME INHIBITEURS DE PDE-IV DANS LE TRAITEMENT DE TROUBLES INFLAMMATOIRES ET ALLERGIQUES
  申请人：GLENMARK PHARMACEUTICALS LTD

  公开号：WO2004016596A1

  公开（公告）日：2004-02-26

  The present invention relates to novel heterocyclic compounds that inhibit phosphodiesterase type 4 (PDE4). The compounds are useful for treating inflammatory conditions, diseases of the central nervous system and insulin resistant diabetes , (formula I) wherein P is selected from the group consisting of bond, oxygen, sulfur and NR1; wherein P1 is selected from the group consisting of hydrogen, halogen atom, -OR1, -S(O)mR1, -C(O)R1, formly amine, nitro and -NRxRy. R2 is selected from the group consisting of hydrogen, halogen, substituted or unsubstituted alkyl, substituted or unsubstituted cycloalkyl, CN, -CH=CR3R3. The ring 'A' is selected from the group consisting of substituted or unsubstituted aryl ring, and optionally substituted saturated or unsaturated five to seven membered heterocyclic ring containing one or more heteroatoms selected from the group consisting of O, S, and NR1; wherein R1, Rx, Ry and R3 are as defined in the description.

  本发明涉及一种新型杂环化合物，其抑制磷酸二酯酶4型（PDE4）。这些化合物可用于治疗炎症性疾病、中枢神经系统疾病和胰岛素抵抗性糖尿病，（式I）其中P选自键，氧，硫和NR1的组；其中P1选自氢，卤素原子，-OR1，-S（O）mR1，-C（O）R1，甲酰胺，硝基和-NRxRy的组。R2选自氢，卤素，取代或未取代的烷基，取代或未取代的环烷基，CN，-CH=CR3R3。环'A'选自取代或未取代的芳基环，以及可选地取代的饱和或不饱和的含有一个或多个来自O、S和NR1的杂原子的五至七元杂环环，其中R1、Rx、Ry和R3如描述中所定义。