5-(5-chlorosulfonyl-2-methoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-thione | 479074-05-0

• 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: 5-(5-chlorosulfonyl-2-methoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-thione
• 英文别名: 4-methoxy-3-(1-methyl-3-propyl-7-thioxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-benzenesulfonyl chloride；4-methoxy-3-(1-methyl-3-propyl-7-sulfanylidene-4H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride
• CAS: 479074-05-0
• 化学式: C₁₆H₁₇ClN₄O₃S₂
• 分子量: 412.921
• InChiKey: OTABMUUIKGJNRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  126
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-(5-chlorosulfonyl-2-methoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-thione 、 2,6-dimethylpiperazine 以 氯仿 为溶剂， 以78.5%的产率得到5-[2-methoxy-5-(cis-3,5-dimethylpiperazin-1-sulfonyl)phenyl]-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-thione
  参考文献：
  名称：

  EP1695976

  摘要：

  公开号：

文献信息

• Novel pyrazolopyrimidinethione derivatives, preparation methods thereof and their use as therapeutics for erectile dysfunction
  申请人：——

  公开号：US20040176371A1

  公开（公告）日：2004-09-09

  Novel pyrazolopyrimidinethione compounds of formula 1: wherein R 1 and R 2 are independently each hydrogen atom, a C 1 -C 6 alkyl group, or a C 3 -C 6 cycloalkyl group, R 3 is a C 1 -C 6 alkyl group. C 3 -C 6 cycloalkyl group or C 3 -C 6 alkenyl group which is substituted or unsubstituted, X is O or NR 4 , and R 4 is hydrogen atom, or a C 1 -C 6 alkyl group, a C 3 -C 6 cycloalkyl group or a C 3 -C 6 alkenyl group which is unsubstituted or substituted with OH or an alkoxy group, pharmacologically acceptable salts or hydrates thereof, and preparation methods thereof are disclosed. Pharmaceutical compositions comprising the compounds are effectively used for the treatment of erectile dysfunction.

  化合物1的新型吡唑并嘧啶硫酮化合物，其中R1和R2分别独立地为氢原子、C1-C6烷基或C3-C6环烷基，R3为C1-C6烷基、C3-C6环烷基或C3-C6烯基，可以是取代或未取代的，X为O或NR4，而R4为氢原子或C1-C6烷基、C3-C6环烷基或C3-C6烯基，可以是未取代或取代的，其中取代基为OH或烷氧基，其药物学上可接受的盐或水合物以及其制备方法被披露。包含这些化合物的制药组合物可有效用于治疗勃起功能障碍。
• Pyrazolopyrimidinethione Derivatives, Salts and Solvates Thereof, Preparation Methods and Use Thereof
  申请人：Li Shuxin

  公开号：US20070219220A1

  公开（公告）日：2007-09-20

  The present invention disclosed the pyrazolopyrimidinethione derivatives, salts and solvates thereof, preparation methods and use thereof. The pyrazolopyrimidinethione derivatives according to the present invention possess the structure of general formula I, wherein, R 1 , R 2 , R 3 , and R 4 represent alkyl, alkenyl, or aryl; R 5 represents hydrogen, alkyl, alkenyl, alkoxy, cycloalkyloxy, aryl, or alkylacyl; and R 6 represents hydrogen, alkyl, alkenyl, cycloalkyloxy, or alkylacyl. The pharmaceuticals containing the compound of the present invention and used for the treatment of impotence and sexlessness have the advantages of high selectivity over PDE V, long action time, and less side reactions, and the pharmaceuticals will arouse no side reactions of blood pressure decreasing and heart rate increasing, and it has broad market propect.

  本发明揭示了吡唑并嘧啶硫醇衍生物、其盐和溶剂化物、制备方法及其用途。根据本发明，吡唑并嘧啶硫醇衍生物具有一般式I的结构，其中，R1、R2、R3和R4代表烷基、烯基或芳基；R5代表氢、烷基、烯基、烷氧基、环烷氧基、芳基或烷基酰基；R6代表氢、烷基、烯基、环烷氧基或烷基酰基。含有本发明化合物的制药产品用于治疗阳痿和性冷淡具有高选择性PDE V、长效时间和副作用少的优点，并且不会引起血压降低和心率增加的副作用，具有广阔的市场前景。
• PYRAZOLOPYRIMIDINETHIONE DERIVATIVES, SALTS AND SOLVATES THEREOF, PREPARATION METHODS AND USE THEREOF
  申请人：Institute of Radiation Medicine Academy of Military Medical Sciences of the Pla

  公开号：EP1695976A1

  公开（公告）日：2006-08-30

  The present invention disclosed the pyrazolopyrimidinethione derivatives, salts and solvates thereof, preparation methods and use thereof. The pyrazolopyrimidinethione derivatives according to the present invention possess the structure of general formula I , wherein, R1, R2, R3, and R4 represent alkyl, alkenyl, or aryl; R5 represents hydrogen, alkyl, alkenyl, alkoxy, cycloalkyloxy, aryl, or alkylacyl; and R6 represents hydrogen, alkyl, alkenyl, cycloalkyloxy, or alkylacyl. The pharmaceuticals containing the compound of the present invention and used for the treatment of impotence and sexlessness have the advantages of high selectivity over PDEV, long action time, and less side reactions, and the pharmaceuticals will arouse no side reactions of blood pressure decreasing and heart rate increasing, and it has broad market propect.

  本发明公开了吡唑嘧啶硫酮衍生物、其盐和溶剂、制备方法及其用途。根据本发明的吡唑嘧啶硫酮衍生物具有通式I的结构，其中，R1、R2、R3和R4代表烷基、烯基或芳基；R5代表氢、烷基、烯基、烷氧基、环烷氧基、芳基或烷基酰基；R6代表氢、烷基、烯基、环烷氧基或烷基酰基。含有本发明化合物并用于治疗阳痿和无性欲的药物具有对 PDEV 选择性高、作用时间长、副作用小等优点，而且该药物不会引起血压下降和心率加快等副作用，具有广阔的市场前景。
• NOVEL PYRAZOLOPYRIMIDINETHIONE DERIVATIVES. PREPARATION METHODS THEREOF AND THEIR USE AS THERAPEUTICS FOR ERECTILE DYSFUNCTION
  申请人：Korea Institute of Science and Technology

  公开号：EP1395593A1

  公开（公告）日：2004-03-10
• EP1395593A4
  申请人：——

  公开号：EP1395593A4

  公开（公告）日：2004-11-10