5-(2-ethoxyphenyl)-2-(4-nitrobenzyl)-3-n-propyl-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one | 215299-44-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 英文名称: 5-(2-ethoxyphenyl)-2-(4-nitrobenzyl)-3-n-propyl-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
• 英文别名: 5-(2-ethoxyphenyl)-2-[(4-nitrophenyl)methyl]-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
• CAS: 215299-44-8
• 化学式: C₂₃H₂₃N₅O₄
• 分子量: 433.467
• InChiKey: FNYZEEFOQCLZHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Pyrazolopyrimidinones which inhibit type 5 cyclic guanosine 3',5'-monophosphate phosphodiesterase (cGMP-PDE5) for the treatment of sexual dysfunction
  申请人：Pfizer Inc

  公开号：US20040180944A1

  公开（公告）日：2004-09-16

  1 Compounds of formulae (IA) and (IB) or pharmaceutically or veterinarily acceptable salts thereof, or pharmaceutically or veterinarily acceptable solvates of either entity, wherein R 1 is C 1 to C 3 alkyl substituted with C 3 to C 6 cycloalkyl, CONR 5 R 6 or a N-linked heterocyclic group; (CH 2 ) n Het or (CH 2 ) n Ar, R 2 is C 1 to C 6 alkyl; R 3 is C 1 to C 6 alkyl optionally substituted with C 1 to C 4 alkoxy; R 4 is SO 2 NR 7 R 8 ; R 5 and R 6 are each independently selected from H and C 1 to C 4 alkyl optionally substituted with C 1 to C 4 alkoxy, or, together with the nitrogen atom to which they are attached, form a 5- or 6-membered heterocyclic group; R 7 and R 8 , together with the nitrogen atom to which they are attached, form a 4-R 10 -piperazinyl group; R 10 is H or C 1 to C 4 alkyl optionally substituted with OH, C 1 to C 4 alkoxy or CONH 2 ; Het is an optionally substituted C-linked 5- or 6-membered heterocyclic group; Ar is optionally substituted phenyl; and n is 0 or 1; are potent and selective cGMP PDE5 inhibitors useful in the treatment of, inter alia, male erectile dysfunction and female sexual dysfunction.

  式（IA）和（IB）化合物或其药学上或兽医学上可接受的盐，或者是任一实体的药学上或兽医学上可接受的溶剂化合物，其中R1是C1到C3烷基，其上取代了C3到C6环烷基，CONR5R6或N-连接的杂环基；（CH2）nHet或（ ）nAr，R2是C1到C6烷基；R3是C1到C6烷基，可选地取代了C1到C4烷氧基；R4是SO2NR7R8；R5和R6各自独立地选择自H和C1到C4烷基，可选地取代自C1到C4烷氧基，或者与它们所连接的氮原子一起形成一个5-或6-成员的杂环基；R7和R8与它们所连接的氮原子一起形成一个4-R10-哌嗪基团；R10是H或C1到C4烷基，可选地取代自OH、C1到C4烷氧基或CONH2；Het是可选地取代的C-连接的5-或6-成员的杂环基；Ar是可选地取代的苯基；n为0或1；这些化合物是强效和选择性的cGMP PDE5抑制剂，可用于治疗男性勃起功能障碍和女性性功能障碍等疾病。
• Hydroxamic acids derivatives, process for their preparation and use thereof
  申请人：BRITISH BIOTECH PHARMACEUTICALS LIMITED

  公开号：EP0498665A1

  公开（公告）日：1992-08-12

  Compounds of general formula I: Wherein : R¹ is hydrogen, C₁ - C₆ alkyl, phenyl, substituted phenyl, phenyl(C₁ - C₆ alkyl), or heterocyclyl; or R¹ is ASOnR⁷ wherein A represents a C₁ - C₆ hydrocarbon chain, optionally substituted with one or more C₁ - C₆ alkyl, phenyl or substituted phenyl groups n = 0,1,2; R⁷ is C₁ - C₆ alkyl, phenyl, substituted phenyl, phenyl (C₁-C₆ alkyl), heterocyclyl, (C₁ - C₆ alkyl)acyl thienyl or phenacyl; R² is hydrogen, C₁ - C₆ alkyl, C₂ - C₆ alkenyl, phenyl (C₁ - C₆alkyl) or cycloalkyl(C₁ - C₆ alkyl); R³ and R⁴ are selected from hydrogen, halogen, cyano amino, amino(C₁ - C₆)alkyl, amino di(C₁ - C₆)alkyl, amino(C₁ - C₆)alkylacyl, aminophenacyl, amino (substituted) phenacyl, amino acid or derivative thereof, hydroxy, oxy(C₁ - C₆)alkyl, oxyacyl, formyl, carboxylic acid, carboxamide, carboxy(C₁ - C₆) alkylamide, carboxyphenylamide, carboxy(C₁ - C₆) alkyl, hydroxy(C₁ - C₆)alkyl, (C₁ - C₆)alkyloxy(C₁ - C₆) alkyl or acyloxy(C₁ - C₆)alkyl, (C₁ - C₆)alkylcarboxylic acid, (C₁-C₆) alkylcarboxy(C₁ - C₆) alkyl, amino (C₁₋₆)alkylacyl carboxylic acid or amino (C₁₋₆)alkylacyl (C₁₋₆) alkylcarboxylate; or R³ is OCH₂COR⁸ R⁴ is hydrogen; wherein R⁸ is hydroxyl, C₁ - C₆ oxyalkyl, C₁ - C₆ oxyalkylphenyl, amino, C₁ - C₆ aminoalkyl, C₁ - C₆ aminodialkyl; C₁ - C₆ aminoalkylphenyl, an amino acid or derivative thereof; or R³ is OCH₂CH₂OR⁹ and R⁴ is hydrogen; wherein R⁹ is C₁ - C₆ alkyl, C₁ - C₆ alkylphenyl, phenyl, substituted phenyl, (C₁ - C₆ alkyl)acyl, or phenacyl; or R³ is OCH₂CN and R⁴ is hydrogen; R⁵ is hydrogen or C₁ - C₆ alkyl, or (C₁ - C₆) alkylphenyl; R⁶ is hydrogen or methyl; or a salt thereof; specifically excluded are compounds wherein: R³ = R⁴ = hydrogen or R³ = R⁴ = hydroxy or R³ = hydrogen and R⁴ = oxybenzyl or R³ = hydrogen and R⁴ = oxy(C₁ - C₆ alkyl); or a salt thereof; have collagenase inhibition activity and are useful in the management of disease involving collagen degradation. Its uses include rheumatoide arthritis, corneal ulceration, osteoporosis, periodontitis, gingivitis and tumour invasion.

  通式 I 的化合物： 其中 ： R¹ 是氢、C₁ - C₆ 烷基、苯基、取代苯基、苯基(C₁ - C₆ 烷基)或杂环基； 或 R¹ 是 ASOnR⁷ 其中 A 代表 C₁ - C₆ 碳氢链，可选择被一个或多个 C₁ - C₆ 烷基、苯基或取代苯基取代 n = 0,1,2; R⁷ 是 C₁ - C₆ 烷基、苯基、取代苯基、苯基 (C₁-C₆ 烷基)、杂环基、(C₁ - C₆ 烷基)酰基噻吩基或苯基； R² 是氢、C₁ - C₆ 烷基、C₂ - C₆ 烯基、苯基 (C₁ - C₆ 烷基) 或环烷基 (C₁ - C₆ 烷基)； R³ 和 R⁴ 选自氢、卤素、氰基氨基、氨基(C₁ - C₆)烷基、氨基二(C₁ - C₆)烷基、氨基(C₁ - C₆)烷酰基、氨基苯酰基、氨基（取代）苯酰基、氨基酸或其衍生物、羟基、氧基（C₁ - C₆）烷基、氧基酰基、甲酰基、羧酸、羧酰胺、羧基（C₁ - C₆）烷基酰胺、(C₁-C₆)烷基、羟基(C₁-C₆)烷基、(C₁-C₆)烷氧基(C₁-C₆)烷基或酰氧基(C₁-C₆)烷基、(C₁-C₆)烷基羧酸、(C₁-C₆)烷基羧基(C₁ - C₆)烷基、氨基(C₁₋₆)烷基酰基羧酸或氨基(C₁₋₆)烷基酰基(C₁₋₆)烷基羧酸； 或 R³ 是 OCH₂COR⁸ R⁴ 是氢； 其中 R⁸ 是羟基、C₁ - C₆ 氧烷基、C₁ - C₆ 氧烷基苯基、氨基、C₁ - C₆ 氨基烷基、C₁ - C₆ 氨基二烷基、C₁ - C₆ 氨基烷基苯基、氨基酸或其衍生物； 或 R³ 是 OCH₂CH₂OR⁹，R⁴ 是氢； 其中 R𠞙 是 C₁ - C₆ 烷基、C₁ - C₆ 烷基苯基、苯基、取代苯基、(C₁ - C₆ 烷基)酰基或苯酰基； 或 R³ 是 OCH₂CN，R⁴ 是氢； R⁵ 是氢或 C₁ - C₆ 烷基，或 (C₁ - C₆) 烷基苯基； R⁶ 是氢或甲基； 或其盐； 特别排除以下化合物 R³ = R⁴ = 氢 或 R³ = R⁴ = 羟基 或 R³ = 氢且 R⁴ = 氧苄 或 R³ = 氢且 R⁴ = 氧(C₁ - C₆ 烷基)； 或其盐； 具有胶原酶抑制活性，可用于治疗涉及胶原降解的疾病。其用途包括风湿性关节炎、角膜溃疡、骨质疏松症、牙周炎、牙龈炎和肿瘤侵袭。
• US6723719B1
  申请人：——

  公开号：US6723719B1

  公开（公告）日：2004-04-20
• US6916927B2
  申请人：——

  公开号：US6916927B2

  公开（公告）日：2005-07-12