N-(4-氯苯基)-2-(3,5-二甲基-1H-吡唑-1-基)-9-甲基-9H-嘌呤-6-胺 | 1063331-94-1

• 物质功能分类: 生物化工 - 生化试剂 - 激动剂抑制剂
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 中文名称: N-(4-氯苯基)-2-(3,5-二甲基-1H-吡唑-1-基)-9-甲基-9H-嘌呤-6-胺
• 英文名称: (4-chloro-phenyl)-[2-(3,5-dimethyl-pyrazol-1-yl)-9-methyl-9H-purin-6-yl]-amine
• 英文别名: (4-chlorophenyl)-[2-(3,5-dimethylpyrazol-1-yl)-9-methyl-9H-purin-6-yl]amine；NS13001；(4-chloro-phenyl)-[2-(3,5-dimethyl-pyrazol-1-yl)-9-methyl-9H-purin-6-yl]amine；N-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-9-methyl-9H-purin-6-amine；N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-9-methylpurin-6-amine
• CAS: 1063331-94-1
• 化学式: C₁₇H₁₆ClN₇
• 分子量: 353.814
• InChiKey: DVQOPNIPUIOXHU-UHFFFAOYSA-N

物化性质

• 溶解度：
  DMF：20mg/mL； DMSO：20mg/mL；乙醇：0.5mg/mL； PBS（pH 7.2）：0.3 mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  73.4
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  N-(4-氯苯基)-2-(3,5-二甲基-1H-吡唑-1-基)-9-甲基-9H-嘌呤-6-胺 在 氢溴酸 作用下， 以 乙醇 、 水 为溶剂， 以83%的产率得到(4-chloro-phenyl)-[2-(3,5-dimethyl-pyrazol-1-yl)-9-methyl-9H-purin-6-yl]-amine hydrobromide
  参考文献：
  名称：

  WO2008/116909

  摘要：

  公开号：
• 作为产物：
  描述：

  N-(4-氯苯)甲酰胺 在 一水合肼 作用下， 以 四氢呋喃 、 乙醇 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 2.83h， 生成 N-(4-氯苯基)-2-(3,5-二甲基-1H-吡唑-1-基)-9-甲基-9H-嘌呤-6-胺
  参考文献：
  名称：

  SUBSTITUTED PURINYL-PYRAZOL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS

  摘要：

  本发明涉及一种新的代替嘌呤基-吡唑衍生物(I)及其作为钾通道调节剂的用途。此外，本发明还涉及用于治疗或缓解与钾通道活性相关的疾病或疾病的药物组合物。

  公开号：

  US20110251217A1

文献信息

• [EN] SUBSTITUTED PURINYL-PYRAZOL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS<br/>[FR] DÉRIVÉS DE PURINYL-PYRAZOLE SUBSTITUÉS ET LEUR UTILISATION EN TANT QUE MODULATEURS DES CANAUX POTASSIQUES
  申请人：NEUROSEARCH AS

  公开号：WO2010034707A1

  公开（公告）日：2010-04-01

  This invention relates to novel substituted purinyl-pyrazol derivatives of formula (I) and their use as potassium channel modulating agents. Moreover the invention is directed to pharmaceutical compositions useful for the treatment or alleviation of diseases or disorders associated with the activity of potassium channels.

  本发明涉及一种新的取代嘌呤基吡唑衍生物，其化学式为(I)，以及它们作为钾通道调节剂的用途。此外，本发明还涉及用于治疗或缓解与钾通道活性相关的疾病或疾病的制药组合物。
• PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS
  申请人：Eriksen Birgitte L.

  公开号：US20100120797A1

  公开（公告）日：2010-05-13

  This invention relates to novel purinyl derivatives and their use as potassium channel modulating agents. Moreover the invention is directed to pharmaceutical compositions useful for the treatment or alleviation of diseases or disorders associated with the activity of potassium channels.

  本发明涉及新型嘌呤衍生物及其用作钾通道调节剂的用途。此外，本发明还涉及用于治疗或缓解与钾通道活性相关的疾病或障碍的药物组合物。
• Substituted purinyl-pyrazole derivatives and their use as potassium channel modulators
  申请人：Neurosearch A/S

  公开号：US08268838B2

  公开（公告）日：2012-09-18

  Provided are substituted purinyl-pyrazol derivatives of the following formula (I), or a pharmaceutically acceptable salt thereof, and their use as potassium channel modulating agents, as well as pharmaceutical compositions having such derivatives that are useful for the treatment or alleviation of diseases or disorders associated with the activity of potassium channels: wherein R1 represents hydrogen or alkyl; one of R2, R3 and R4 represents alkyl, hydroxy-alkyl, alkoxy-alkyl, halo, trifluoromethyl, trifluoromethoxy, hydroxy or alkoxy; and the other two of R2, R3 and R4, independently of each other, represent hydrogen, alkyl, hydroxy-alkyl, alkoxy-alkyl, halo, trifluoromethyl, trifluoromethoxy, hydroxy or alkoxy; R5 represents phenyl optionally substituted with one or more substituents selected from the group consisting of alkyl, halo, trifluoromethyl, trifluoromethoxy, alkoxy and cyano; and R6 represents R′OC(═O)—, wherein R′ represents alkyl, alkoxy, alkoxy-alkyl or adamantanyl.

  提供的是以下式（I）的取代嘌呤基-吡唑衍生物，或其药学上可接受的盐，以及它们作为钾通道调节剂的用途，以及具有这些衍生物的药物组合物，它们有用于治疗或缓解与钾通道活性相关的疾病或障碍： 其中，R1代表氢或烷基；R2、R3和R4中的一个代表烷基、羟基烷基、烷氧基烷基、卤素、三氟甲基、三氟甲氧基、羟基或烷氧基；而R2、R3和R4中的另外两个，独立于彼此，分别代表氢、烷基、羟基烷基、烷氧基烷基、卤素、三氟甲基、三氟甲氧基、羟基或烷氧基；R5代表苯基，可选地取代一个或多个取代基，所述取代基选自烷基、卤素、三氟甲基、三氟甲氧基、烷氧基和氰基的群；而R6代表R'OC(═O)——，其中R'代表烷基、烷氧基、烷氧基烷基或金刚烷基。
• Purinyl derivatives and their use as potassium channel modulators
  申请人：Eriksen Birgitte L.

  公开号：US08362024B2

  公开（公告）日：2013-01-29

  This invention relates to novel purinyl derivatives of formula Ia or Ib Wherein the symbols are as defined in the Specification and of pharmaceutically acceptable salts thereof useful for the treatment or alleviation of diseases or disorders associated with the activity of potassium channels, for the preparation of a medicament for such treatment and to pharmaceutical compositions containing such compounds.

  本发明涉及公式Ia或Ib的新型嘌呤衍生物及其药学上可接受的盐，其中符号如规范中定义，用于治疗或缓解与钾通道活性相关的疾病或疾病，用于制备用于此类治疗的药物，并包含此类化合物的制药组合物。
• TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS WITH SK CHANNEL ACTIVATORS
  申请人：Wright State University

  公开号：US20170299609A1

  公开（公告）日：2017-10-19

  Methods for treating amyotrophic lateral sclerosis (ALS). The methods include administering to a subject in need thereof a therapeutically effective amount of at least one small conductance calcium-activated potassium (SK) channel activator or a pharmaceutically acceptable salt or solvate thereof. Pharmaceutical compositions for the treatment of ALS, including a therapeutically effective amount of at least one SK channel activator, or a pharmaceutically acceptable salt or solvate thereof, and at least one excipient, adjuvant, or pharmaceutically acceptable carrier.