(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine | 58947-99-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
• CAS: 58947-99-2
• 化学式: C52H84N2O35
• 分子量: 1297.2
• InChiKey: ZVGXMXZFCZVPEY-LCQLFYOQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -13.38
• 重原子数：
  89
• 可旋转键数：
  8
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  570
• 氢给体数：
  21
• 氢受体数：
  37

文献信息

• [EN] SPIRO DERIVATIVES AS VOLTAGE - GATED SODIUM CHANNEL MODULATORS<br/>[FR] DÉRIVÉS SPIRO COMME MODULATEURS DE CANAUX SODIQUES DÉPENDANTS D'UNE DIFFÉRENCE DE POTENTIEL
  申请人：CONVERGENCE PHARMACEUTICALS

  公开号：WO2013179049A1

  公开（公告）日：2013-12-05

  The invention relates to spiro derivatives, to the use of said derivatives in treating diseases and conditions mediated by modulation of voltage-gated sodium channels, to compositions containing said derivatives and processes for their preparation.

  这项发明涉及螺环衍生物，涉及使用这些衍生物治疗通过调节电压门控钠通道介导的疾病和症状，涉及含有这些衍生物的组合物以及它们的制备过程。
• [EN] 2 - (PYRIDIN- 2YL) - 1, 7 -DIAZA-SPIRO [4.4] NONANE- 6 -ONE COMPOUND AS VOLTAGE-GATED SODIUM CHANNELS MODULATOR<br/>[FR] COMPOSÉ 2-(PYRIDIN-2YL)-1,7-DIAZA-SPIRO[4.4]NONANE-6-ONE COMME MODULATEUR DES CANAUX SODIQUES VOLTAGE-DÉPENDANTS
  申请人：CONVERGENCE PHARMACEUTICALS

  公开号：WO2013093496A1

  公开（公告）日：2013-06-27

  The invention relates to spiro derivative of formula (I), to the use of said derivative in treating diseases and conditions mediated by modulation of voltage-gated sodium channels, to compositions containing said derivative and processes for its preparation.

  这项发明涉及到式(I)的螺环衍生物，以及利用该衍生物治疗通过调节电压门控钠通道介导的疾病和症状，包含该衍生物的组合物以及其制备方法。
• [EN] Novel Compounds<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：CONVERGENCE PHARMACEUTICALS

  公开号：WO2013175205A1

  公开（公告）日：2013-11-28

  NOVEL COMPOUNDS The invention relates to spiro derivatives, to the use of said derivatives intreating diseases and conditions mediated by modulation of voltage-gated sodium channels, to compositions containing said derivatives and processes for their preparation.

  新化合物。本发明涉及螺环衍生物，涉及使用该衍生物治疗通过调节电压门控钠通道介导的疾病和症状，涉及含有该衍生物的组合物和其制备方法。
• [EN] 5-[5-[2-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-2-METHYLPROPANOYLMETHYLAMINO]-4-(4-FLUORO-2-METHYLPHENYL)]-2-PYRIDINYL-2-ALKYL-PROLINAMIDE AS NK1 RECEPTOR ANTAGONISTS<br/>[FR] 5- [5- [2- (3, 5-BIS (TRIFLUOROMÉTHYL) PHÉNYL) -2-MÉTHYLPROPANOYLMÉTHYLAMINO] -4- (4-FLUORO-2-MÉTHYLPHÉNYL) ] -2-PYRIDINYL-2-ALKYL-PROLINAMIDE, ANTAGONISTES DU RÉCEPTEUR NK1
  申请人：GLAXO WELLCOME MFG PTE LTD

  公开号：WO2009138393A1

  公开（公告）日：2009-11-19

  The invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof, wherein R is C1-4 alkyl useful in the treatment of diseases and conditions for which antagonism of NK1 receptor is beneficial.

  该发明提供了一种式（I）的化合物或其药用可接受的盐，其中R为C1-4烷基，在治疗需要NK1受体拮抗作用有益的疾病和症状中有用。
• [EN] NOVEL SALTS<br/>[FR] NOUVEAUX SELS
  申请人：BIOGEN INC

  公开号：WO2019067961A1

  公开（公告）日：2019-04-04

  The invention relates to novel salts of 7-methyl-2-[4-methyl-6-[4-(trifluoromethyl)- phenyl]pyrimidin-2-yl]-1,7-diazaspiro[4.4]nonan-6-one, to compositions containing said salts and to the use of said salts in treating diseases and conditions mediated by modulation of voltage-gated sodium channels.

  这项发明涉及7-甲基-2-[4-甲基-6-[4-(三氟甲基)苯基]嘧啶-2-基]-1,7-二氮杂螺[4.4]壬烷-6-酮的新型盐，含有该盐的组合物以及利用该盐治疗通过调节电压门控钠通道介导的疾病和病况。