1,2,4,7-Tetrahydro-5-methyl-7-(3-nitro-phenyl)-2-oxopyrazolo[1,5,-a]pyrimidine-6carboxylic acid, 1-methylethyl ester | 124711-86-0

• 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: 1,2,4,7-Tetrahydro-5-methyl-7-(3-nitro-phenyl)-2-oxopyrazolo[1,5,-a]pyrimidine-6carboxylic acid, 1-methylethyl ester
• 英文别名: 1,2,4,7-Tetrahydro-5-methyl-7-(3-nitrophenyl)-2-oxopyrazolo[1,5-a]pyrimdine-6-carboxylic acid, 1-methylethyl ester；1,2,4,7-tetrahydro-5-methyl-7-(3-nitrophenyl)-2-oxopyrazolo[1,5-a]pyrimidine-6-carboxylic acid,1-methylethyl ester；propan-2-yl 5-methyl-7-(3-nitrophenyl)-2-oxo-4,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
• CAS: 124711-86-0
• 化学式: C₁₇H₁₈N₄O₅
• 分子量: 358.354
• InChiKey: WATOKIWDHXOYOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  117
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1,2,4,7-Tetrahydro-5-methyl-7-(3-nitro-phenyl)-2-oxopyrazolo[1,5,-a]pyrimidine-6carboxylic acid, 1-methylethyl ester 、 苯磺酰氯 生成 1,2,4,7-Tetrahydro-5-methyl-7-(3-nitro-phenyl)-2-oxo-1-(phenylsulfonyl)pyrazolo-[1,5-a]pyrimidine-6-carboxylic acid, 1-methylethyl ester
  参考文献：
  名称：

  ATWAL, KARNAIL

  摘要：

  DOI：
• 作为产物：
  描述：

  3-氨基-5-吡唑醇 、 isopropyl 2-(3-nitrobenzylidene)-acetoacetate 生成 1,2,4,7-Tetrahydro-5-methyl-7-(3-nitro-phenyl)-2-oxopyrazolo[1,5,-a]pyrimidine-6carboxylic acid, 1-methylethyl ester
  参考文献：
  名称：

  ATWAL, KARNAIL

  摘要：

  DOI：

文献信息

• 1,2,4,7-tetrahydro-2-oxopyrazolo[1,5-a]pyrimidine derivatives
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04746656A1

  公开（公告）日：1988-05-24

  Cardiovascular activity is exhibited by compounds having the formula ##STR1## or a pharmaceutically acceptable salt thereof, wherein R.sub.1 is aryl or heterocyclo; R.sub.2 is hydrogen, alkyl, alkenyl, alkynyl, cycloalkyl, aryl, --(CH.sub.2).sub.n --Y.sub.1, or halo substituted alkyl; R.sub.3 is hydrogen, alkyl, cycloalkyl, aryl, heterocyclo, --(CH.sub.2).sub.n --Y.sub.2, --(CH.sub.2).sub.p --Y.sub.3, or halo substituted alkyl; R.sub.4 is hydrogen, alkyl, alkenyl, alkynyl, --(CH.sub.2).sub.n --Y.sub.2, --(CH.sub.2).sub.p --Y.sub.3, halo substituted alkyl, or ##STR2## Y.sub.1 is cycloalkyl, aryl, heterocyclo, hydroxyl, alkoxy, aryl--(CH.sub.2).sub.m --O--, mercapto, alkylthio, aryl--(CH.sub.2).sub.m --S--, amino, substituted amino, carbamoyl, ##STR3## Y.sub.2 is cycloalkyl, aryl, heterocyclo, carbamoyl, ##STR4## Y.sub.3 is hydroxyl, alkoxy, aryl--(CH.sub.2).sub.m --O--, mercapto, alkylthio, aryl--(CH.sub.2).sub.m --S--, ##STR5## amino, or substituted amino; Y.sub.4 is alkyl, cycloalkyl, aryl, heterocyclo, --(CH.sub.2).sub.n --Y.sub.1 or halo substituted alkyl; m is 0 or an integer of 1 to 6; n is an integer of 1 to 6; and p is an integer of 2 to 6.

  具有以下公式## STR1##或其药学上可接受的盐的化合物表现出心血管活性，其中R.sub.1是芳基或杂环基; R.sub.2是氢，烷基，烯基，炔基，环烷基，芳基，--（CH.sub.2）.sub.n--Y.sub.1或卤代烷基; R.sub.3是氢，烷基，环烷基，芳基，杂环基，--（CH.sub.2）.sub.n--Y.sub.2，--（CH.sub.2）.sub.p--Y.sub.3或卤代烷基; R.sub.4是氢，烷基，烯基，炔基，--（CH.sub.2）.sub.n--Y.sub.2，--（CH.sub.2）.sub.p--Y.sub.3，卤代烷基或##STR2##; Y.sub.1是环烷基，芳基，杂环基，羟基，烷氧基，芳基--（CH.sub.2）.sub.m--O--，硫醇基，烷基硫基，芳基--（CH.sub.2）.sub.m--S--，氨基，取代氨基，氨基甲酰基，##STR3##; Y.sub.2是环烷基，芳基，杂环基，氨基甲酰基，##STR4##; Y.sub.3是羟基，烷氧基，芳基--（CH.sub.2）.sub.m--O--，硫醇基，烷基硫基，芳基--（CH.sub.2）.sub.m--S--，##STR5##，氨基或取代氨基; Y.sub.4是烷基，环烷基，芳基，杂环基，--（CH.sub.2）.sub.n--Y.sub.1或卤代烷基; m为0或1至6的整数; n为1至6的整数; p为2至6的整数。
• 2-Oxo-1-sulfonyl pyrazolo(1,5-a) pyrimidine-6-carboxylic acid esters
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04859676A1

  公开（公告）日：1989-08-22

  Cardiovascular activity is exhibited by compounds having the formula ##STR1## or a pharmaceutically acceptable salt thereof wherein R.sub.1 is alkyl, cycloalkyl, aryl, --(CH.sub.2).sub.n --Y.sub.1, or halo substituted alkyl; R.sub.2 is hydrogen, alkyl, alkenyl, alkynyl, cycloalkyl, aryl, --(CH.sub.2).sub.n --Y.sub.1, or halo substituted alkyl; R.sub.3 is hydrogen, alkyl, cycloalkyl, aryl, --(CH.sub.2).sub.n --Y.sub.2, --(CH.sub.2).sub.p --Y.sub.3, or halo substituted alkyl; R.sub.4 is aryl; Y.sub.1 is cycloalkyl, aryl, hydroxyl, alkoxy, aryl--(CH.sub.2).sub.m --O--, mercapto, alkylthio, aryl--(CH.sub.2).sub.m --S--, amino substituted amino, carbamoyl, ##STR2## Y.sub.2 is cycloalkyl, aryl, carbamoyl, ##STR3## Y.sub.3 is hydroxyl, alkoxy, aryl--(CH.sub.2).sub.m --O--, mercapto, alkylthio, aryl--(CH.sub.2)).sub.m --S--, ##STR4## amino or substituted amino; m is 0 or an integer of 1 to 6; n is an integer of 1 to 6; and p is an integer of 2 to 6.

  具有以下式子##STR1##或其药学上可接受的盐，其表现出心血管活性，其中R.sub.1是烷基，环烷基，芳基，--(CH.sub.2).sub.n --Y.sub.1或卤代烷基；R.sub.2是氢，烷基，烯基，炔基，环烷基，芳基，--(CH.sub.2).sub.n --Y.sub.1或卤代烷基；R.sub.3是氢，烷基，环烷基，芳基，--(CH.sub.2).sub.n --Y.sub.2，--(CH.sub.2).sub.p --Y.sub.3或卤代烷基；R.sub.4是芳基；Y.sub.1是环烷基，芳基，羟基，烷氧基，芳基--(CH.sub.2).sub.m --O--，巯基，烷基硫基，芳基--(CH.sub.2).sub.m --S--，氨基取代的氨基，氨基甲酰基，##STR2## Y.sub.2是环烷基，芳基，氨基甲酰基，##STR3## Y.sub.3是羟基，烷氧基，芳基--(CH.sub.2).sub.m --O--，巯基，烷基硫基，芳基--(CH.sub.2)).sub.m --S--，##STR4## 氨基或取代的氨基；m为0或1到6的整数；n为1到6的整数；p为2到6的整数。