硫代艾地那非

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 硫代艾地那非
• 英文名称: thioaildenafil
• 英文别名: 5-[2-ethoxy-5-(cis-3,5-dimethylpiperazin-1-sulfonyl)phenyl]-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-thione；5-[5-[(3S,5R)-3,5-dimethylpiperazin-4-ium-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-3-propylpyrazolo[4,3-d]pyrimidine-7-thiolate
• 化学式: C₂₃H₃₂N₆O₃S₂
• 分子量: 504.677
• InChiKey: SCLUKEPFXXPARW-GASCZTMLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  141
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  硫代艾地那非 、 5-氯-1-甲基-4-硝基咪唑 在 sodium acetate 作用下， 以 二甲基亚砜 为溶剂， 反应 2.0h， 以48%的产率得到莫他哌那非
  参考文献：
  名称：

  Identification of Mutaprodenafil in a Dietary Supplement and Its Subsequent Synthesis

  摘要：

  我们从一种治疗勃起功能障碍（ED）的膳食补充剂中分离出一种新的非法西地那非类似物，名为mutaprodenafil，并指出它是一种含有咪唑部分的艾地那非衍生物。随后，我们从硫代艾地那非中合成出mutaprodenafil，并验证了其结构。

  DOI：

  10.1248/cpb.59.1314
• 作为产物：
  描述：

  3-(6,7-二氢-1-甲基-3-丙基-7-硫代-1H-吡唑并[4,3-d]嘧啶-5-基)-4-乙氧基-苯磺酰氯 、 2,6-dimethylpiperazine 在 ice 、 disodium;carbonate 、 水 、 乙酸乙酯 作用下， 以 氯仿 为溶剂， 反应 1.0h， 以to give 2.8 g of a pale yellow solid的产率得到硫代艾地那非
  参考文献：
  名称：

  Pyrazolopyrimidinethione Derivatives, Salts and Solvates Thereof, Preparation Methods and Use Thereof

  摘要：

  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。

  公开号：

  US20070219220A1

文献信息

• 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。
• Treatment of erectile dysfunction and other indications
  申请人：Strategic Science & Technologies, LLC

  公开号：US10172865B2

  公开（公告）日：2019-01-08

  The present invention generally relates to the transdermal delivery of various compounds. In some aspects, transdermal delivery may be facilitated by the use of a hostile biophysical environment. One set of embodiments provides a composition for topical delivery comprising a phosphodiesterase type 5 inhibitor and/or a salt thereof, and optionally, a hostile biophysical environment and/or a nitric oxide donor. In some cases, the composition may be stabilized using a combination of a stabilization polymer (such as xanthan gum, KELTROL® BT and/or KELTROL® RD), propylene glycol, and a polysorbate surfactant such as Polysorbate 20, which combination unexpectedly provides temperature stability to the composition, e.g., at elevated temperatures such as at least 40° C. (at least about 104° F.), as compared to compositions lacking one or more of these.

  本发明一般涉及各种化合物的透皮给药。在某些方面，透皮给药可以通过使用敌对的生物物理环境来促进。一组实施例提供了一种用于局部给药的组合物，该组合物包含5型磷酸二酯酶抑制剂和/或其盐，以及可选的敌对生物物理环境和/或一氧化氮供体。在某些情况下，可以使用稳定聚合物（如黄原胶、KELTROL® BT和/或KELTROL® RD）、丙二醇和聚山梨醇酯表面活性剂（如聚山梨醇酯20）的组合来稳定组合物，与缺乏其中一种或多种的组合物相比，该组合物意外地提供了组合物的温度稳定性，例如在高温下，如至少40° C（至少约104° F）。
• EP1695976
  申请人：——

  公开号：——

  公开（公告）日：——
• TREATMENT OF ERECTILE DYSFUNCTION AND OTHER INDICATIONS
  申请人：Strategic Science & Technologies, LLC

  公开号：US20140051707A1

  公开（公告）日：2014-02-20

  The present invention generally relates to the transdermal delivery of various compounds. In some aspects, transdermal delivery may be facilitated by the use of a hostile biophysical environment. One set of embodiments provides a composition for topical delivery comprising a phosphodiesterase type 5 inhibitor and/or a salt thereof, and optionally, a hostile biophysical environment and/or a nitric oxide donor. In some cases, the composition may be stabilized using a combination of a stabilization polymer (such as xanthan gum, KELTROL® BT and/or KELTROL® RD), propylene glycol, and a polysorbate surfactant such as Polysorbate 20, which combination unexpectedly provides temperature stability to the composition, e.g., at elevated temperatures such as at least 40° C. (at least about 104° F.), as compared to compositions lacking one or more of these.
• TRANSDERMAL DELIVERY OF SILDENAFIL AND OTHER PHOSPHODIESTERASE TYPE 5 INHIBITORS
  申请人：STRATEGIC SCIENCE & TECHNOLOGIES, LLC

  公开号：US20160067252A1

  公开（公告）日：2016-03-10

  The present invention generally relates to the transdermal delivery of sildenafil and other phosphodiesterase type 5 inhibitors. While transdermal transport of sildenafil in creams and other topical formulations have been previously described, propylene glycol has not previously been recognized as a transdermal enhancer. However, in some aspects of the present invention, certain concentrations of propylene glycol can have a surprising effect on the transdermal delivery of sildenafil and other phosphodiesterase type 5 inhibitors, e.g., doubling the amount of transdermal delivery in some cases.