3,3,3-Trifluoro-2,2-dimethylpropyltrifluoromethanesulfonate | 2160713-31-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 3,3,3-Trifluoro-2,2-dimethylpropyltrifluoromethanesulfonate
• 英文别名: (3,3,3-trifluoro-2,2-dimethylpropyl) trifluoromethanesulfonate
• CAS: 2160713-31-3
• 化学式: C₆H₈F₆O₃S
• 分子量: 274.18
• InChiKey: GWBFNMQTNNWJEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  3,3,3-Trifluoro-2,2-dimethylpropyltrifluoromethanesulfonate 在 potassium phosphate 、 tris-(dibenzylideneacetone)dipalladium(0) 、 copper(l) iodide 、 肌氨酸 、 sodium hydride 、 caesium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 55.25h， 生成 4-((2-hydroxyethyl)sulfonamido)-2-(6-azaspiro[2.5]octan-6-yl)-N-(1-(3,3,3-trifluoro-2,2-dimethylpropyl)-1H-pyrazolo[3,4-b]pyridin-6-yl)benzamide
  参考文献：
  名称：

  NITROGENOUS COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF

  摘要：

  The present invention discloses a nitrogenous compound, pharmaceutical composition and use thereof. The present invention provides a compound represented by formula (I) or formula (II), a solvate thereof, a pharmaceutically acceptable salt thereof or a solvate of the pharmaceutically acceptable salt thereof. The compound of the present disclosure shows a good inhibitory effect on KIF18A, which can be used as KIF18A inhibitor to treat cancers.

  公开号：

  WO2024125626A1
• 作为产物：
  描述：

  三氟甲磺酸酐 、 3,3,3-三氟-2,2-二甲基丙烷-1-醇 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 以86.39 %的产率得到3,3,3-Trifluoro-2,2-dimethylpropyltrifluoromethanesulfonate
  参考文献：
  名称：

  NITROGENOUS COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF

  摘要：

  The present invention discloses a nitrogenous compound, pharmaceutical composition and use thereof. The present invention provides a compound represented by formula (I) or formula (II), a solvate thereof, a pharmaceutically acceptable salt thereof or a solvate of the pharmaceutically acceptable salt thereof. The compound of the present disclosure shows a good inhibitory effect on KIF18A, which can be used as KIF18A inhibitor to treat cancers.

  公开号：

  WO2024125626A1

文献信息

• [EN] 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR<br/>[FR] MODULATEURS ALLOSTÉRIQUES DE TYPE 3-(1H-PYRAZOL-4-YL)PYRIDINE DU RÉCEPTEUR MUSCARINIQUE M4 DE L'ACÉTYLCHOLINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2019005588A1

  公开（公告）日：2019-01-03

  The present invention is directed to pyrazol-4-yl-pyridine compounds which are allosteric modulators of the M4 muscarinic acetylcholine receptor. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which M4 muscarinic acetylcholine receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which M4 muscarinic acetylcholine receptors are involved.

  本发明涉及吡唑并[4,3-b]吡啶化合物，其为M4毒蕈碱型乙酰胆碱受体的变构调节剂。本发明还涉及在可能治疗或预防神经和精神障碍以及涉及M4毒蕈碱型乙酰胆碱受体的疾病中使用所述化合物。本发明还涉及包含这些化合物的组合物。本发明还涉及在可能预防或治疗涉及M4毒蕈碱型乙酰胆碱受体的疾病中使用这些组合物。
• 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor
  申请人：Merck Sharp & Dohme Corp.

  公开号：US11339156B2

  公开（公告）日：2022-05-24

  The present invention is directed to pyrazol-4-yl-pyridine compounds which are allosteric modulators of the M4 muscarinic acetylcholine receptor. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which M4 muscarinic acetylcholine receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which M4 muscarinic acetylcholine receptors are involved.

  本发明涉及吡唑-4-基吡啶化合物，它们是 M4 肌乙酰胆碱受体的异位调节剂。本发明还涉及本文所述化合物在潜在治疗或预防涉及 M4 肌 肉碱乙酰胆碱受体的神经和精神疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在预防或治疗涉及 M4 蕈样乙酰胆碱受体的此类疾病中的用途。
• 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP3644991A1

  公开（公告）日：2020-05-06