7-Amino-3-benzyl-5-n-butyl-2-phenylpyrazolo[1,5-a]pyrimidine | 174859-81-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 7-Amino-3-benzyl-5-n-butyl-2-phenylpyrazolo[1,5-a]pyrimidine
• 英文别名: 3-Benzyl-5-butyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine
• CAS: 174859-81-5
• 化学式: C₂₃H₂₄N₄
• 分子量: 356.47
• InChiKey: PMPNRFBHNAZOJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  56.2
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE
  申请人：OTSUKA PHARMACEUTICAL FACTORY, INC.

  公开号：EP0714898A1

  公开（公告）日：1996-06-05

  The invention provides a pyrazolo[1,5-a]pyrimidine derivative of the following formula (1): wherein R¹ is hydrogen, lower alkyl which may have thienyl, lower alkoxy, lower alkylthio, oxo or hydroxyl as a substituent, cycloalkyl, thienyl, furyl, lower alkenyl, or phenyl which may have 1 to 3 substituents selected from the group consisting of lower alkyl, lower alkoxy, phenylthio and halogen; R² is naphthyl, cycloalkyl, furyl, thienyl, optionally halogen-substituted pyridyl, optionally halogen-substituted phenoxy, or phenyl which may have 1 to 3 substituents selected from the group consisting of lower alkyl, lower alkoxy, halogen, nitro, halogen-substituted lower alkyl, halogen-substituted lower alkoxy, lower alkoxycarbonyl, hydroxyl, phenyl(lower)alkoxy, amino, cyano, lower alkanoyloxy, phenyl and di(lower)alkoxyphosphoryl(lower)alkyl; R³ is hydrogen, phenyl or lower alkyl; R⁴ is hydrogen, lower alkyl, lower alkoxycarbonyl, phenyl(lower)alkyl, optionally phenylthio-substituted phenyl, or halogen; R⁵ is hydrogen or lower alkyl; R⁶ is hydrogen, lower alkyl, phenyl(lower)alkyl, or benzoyl having 1 to 3 substituents selected from the group consisting of lower alkoxy, halogen-substituted lower alkyl and halogen; R¹ and R⁵ may conjointly form lower alkylene; Q is carbonyl or sulfonyl; A is a single bond, lower alkylene or lower alkenylene; and n is 0 or 1. This derivative is useful as a potent analgesic.

  本发明提供了下式（1）的吡唑并[1,5-a]嘧啶衍生物： 其中 R¹ 是氢、可具有噻吩基、低级烷氧基、低级烷硫基、氧代或羟基作为取代基的低级烷基、环烷基、噻吩基、呋喃基、低级烯基或可具有 1 至 3 个选自低级烷基、低级烷氧基、苯硫基和卤素的取代基的苯基；R² 是萘基、环烷基、呋喃基、噻吩基、任选卤素取代的吡啶基、任选卤素取代的苯氧基或苯基，可具有 1 至 3 个取代基，这些取代基可从低级烷基、低级烷氧基、卤素、硝基和卤素组成的组中选出、低级烷氧基、卤素、硝基、卤素取代的低级烷基、卤素取代的低级烷氧基、低级烷氧基羰基、羟基、苯基（低级）烷氧基、氨基、氰基、低级烷酰氧基、苯基和二（低级）烷氧基磷酰（低级）烷基；R³ 是氢、苯基或低级烷基；R⁴ 是氢、低级烷基、低级烷氧基羰基、苯基（低级）烷基、任选的苯硫基取代苯基或卤素；R⁵ 是氢或低级烷基；R⁶ 是氢、低级烷基、苯基（低级）烷基或具有 1 至 3 个取代基的苯甲酰基，取代基可从低级烷氧基、卤素取代的低级烷基和卤素组成的组中选出；R¹ 和 R⁵ 可共同形成低级亚烷基；Q 是羰基或磺酰基；A 是单键、低级亚烷基或低级亚烯基；n 是 0 或 1。这种衍生物可用作强效镇痛剂。
• Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors
  申请人：——

  公开号：US20010031781A1

  公开（公告）日：2001-10-18

  The present invention is directed to compounds of Formula I: wherein X is O, S or NR 7 and R 1 -R 7 , Y and Z are set forth in the specification, as well as hydrates, solvates or pharmaceutically acceptable salts thereof. Also described are methods for preparing the compounds of Formula I. The novel compounds of the present invention are potent inhibitors of proteases, especially trypsin-like serine proteases, such as chymotrypsin, trypsin, plasmin and urokinase. Certain of the compounds exhibit direct, selective inhibition of urokinase, or are intermediates useful for forming compounds having such activity.

  本发明涉及式 I 的化合物： 其中 X 是 O、S 或 NR 7 和 R 1 -R 7 、Y 和 Z，以及它们的水合物、溶剂或药学上可接受的盐，均已在说明书中阐明。还描述了制备式 I 化合物的方法。本发明的新型化合物是蛋白酶的强效抑制剂，特别是胰蛋白酶样丝氨酸蛋白酶，如糜蛋白酶、胰蛋白酶、凝血酶和尿激酶。其中某些化合物对尿激酶有直接的选择性抑制作用，或者是用于形成具有这种活性的化合物的中间体。
• US5707997A
  申请人：——

  公开号：US5707997A

  公开（公告）日：1998-01-13