N-(5-fluoropyrimidin-2-yl)-6-(2-(methylsulfonyl)ethyl)-4,5,6,8-tetrahydropyrazolo[3,4-b]thiazolo[4,5-d]azepin-2-amine | 1355993-54-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(5-fluoropyrimidin-2-yl)-6-(2-(methylsulfonyl)ethyl)-4,5,6,8-tetrahydropyrazolo[3,4-b]thiazolo[4,5-d]azepin-2-amine
• 英文别名: N-(5-fluoropyrimidin-2-yl)-9-(2-methylsulfonylethyl)-5-thia-3,9,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
• CAS: 1355993-54-2
• 化学式: C₁₅H₁₆FN₇O₂S₂
• 分子量: 409.468
• InChiKey: UCBHMWVFPHPWMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  153
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  N-(5-fluoropyrimidin-2-yl)-8-(4-methoxybenzyl)-6-(2-(methylsulfonyl)ethyl)-4,5,6,8-tetrahydropyrazolo[3,4-b]thiazolo[4,5-d]azepin-2-amine 以 三氟乙酸 为溶剂， 以to yield N-(5-fluoropyrimidin-2-yl)-6-(2-(methylsulfonyl)ethyl)-4,5,6,8-tetrahydropyrazolo[3,4-b]thiazolo[4,5-d]azepin-2-amine (5 μmol, 2 mg, 30%) as a yellow solid的产率得到N-(5-fluoropyrimidin-2-yl)-6-(2-(methylsulfonyl)ethyl)-4,5,6,8-tetrahydropyrazolo[3,4-b]thiazolo[4,5-d]azepin-2-amine
  参考文献：
  名称：

  NOVEL TETRAHYDROPYRAZOLO [3,4-b] AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS

  摘要：

  本发明涉及公式（I）的新化合物，其中M，A和Y如公式（I）中所定义；发明化合物是代谢型谷氨酸受体-亚型4（“mGluR4”）的调节剂，可用于治疗或预防中枢神经系统疾病以及其他受mGluR4受体调节的疾病。本发明还涉及制药组合物以及使用这些化合物制造药物的用途，以及使用这些化合物预防和治疗涉及mGluR4的疾病的用途。

  公开号：

  US20130267499A1

文献信息

• NOVEL TETRAHYDROPYRAZOLO[3,4-B]AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS
  申请人：Addex Pharma SA

  公开号：EP2592932A2

  公开（公告）日：2013-05-22
• US9765091B2
  申请人：——

  公开号：US9765091B2

  公开（公告）日：2017-09-19
• [EN] NOVEL TETRAHYDROPYRAZOLO[3,4-B]AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS<br/>[FR] NOUVEAUX DÉRIVÉS DE TÉTRAHYDROPYRAZOLO[3,4-B]AZÉPINE ET LEUR UTILISATION EN TANT QUE MODULATEURS ALLOSTÉRIQUES DE RÉCEPTEURS MÉTABOTROPIQUES DU GLUTAMATE
  申请人：ADDEX PHARMACEUTICALS SA

  公开号：WO2012009001A2

  公开（公告）日：2012-01-19

  The present invention relates to novel compounds of Formula (I), wherein M, A and Y are defined as in Formula (I); invention compounds are modulators of metabotropic glutamate receptors - subtype 4 ("mGluR4") which are useful for the treatment or prevention of central nervous system disorders as well as other disorders modulated by mGluR4 receptors. The invention is also directed to pharmaceutical compositions and the use of such compounds in the manufacture of medicaments, as well as to the use of such compounds for the prevention and treatment of such diseases in which mGluR4 is involved.