4,4,4-三氟-2,2-二甲基丁烷-1-醇 | 1008754-88-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4,4,4-三氟-2,2-二甲基丁烷-1-醇
• 英文名称: 4,4,4-trifluoro-2,2-dimethylbutan-1-ol
• CAS: 1008754-88-8
• 化学式: C₆H₁₁F₃O
• 分子量: 156.148
• InChiKey: SSDQSUZSZANDFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,4,4-三氟-2,2-二甲基丁烷-1-醇 在 三苯基膦 、 碘甲烷 作用下， 反应 50.0h， 生成 1,1,1-trifluoro-4-iodo-3,3-dimethylbutane
  参考文献：
  名称：

  PHENYL SUBSTITUTED PYRAZOLES AS MODULATORS OF RORgT

  摘要：

  本发明涵盖了Formula I的化合物。 其中： R1、R3、R4、R5、R6、R7、R8和Q在规范中有定义。 该发明还涵盖了一种治疗或改善ROR-γ-t介导的综合征、疾病或疾病的方法，包括综合征、疾病或疾病选自类风湿性关节炎、银屑病性关节炎和牛皮癣的群组。该发明还涵盖了通过给哺乳动物施用至少一种Formula I化合物的治疗有效量来调节RORγt活性的方法。

  公开号：

  US20190382349A1
• 作为产物：
  描述：

  ethyl 4,4,4-trifluoro-2,2-dimethylbutanoate 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 4,4,4-三氟-2,2-二甲基丁烷-1-醇
  参考文献：
  名称：

  PHENYL SUBSTITUTED PYRAZOLES AS MODULATORS OF RORgT

  摘要：

  本发明涵盖了Formula I的化合物。 其中： R1、R3、R4、R5、R6、R7、R8和Q在规范中有定义。 该发明还涵盖了一种治疗或改善ROR-γ-t介导的综合征、疾病或疾病的方法，包括综合征、疾病或疾病选自类风湿性关节炎、银屑病性关节炎和牛皮癣的群组。该发明还涵盖了通过给哺乳动物施用至少一种Formula I化合物的治疗有效量来调节RORγt活性的方法。

  公开号：

  US20190382349A1

文献信息

• [EN] IMIDAZOPYRIDIN-2-ONE DERIVATIVES<br/>[FR] DÉRIVÉS D'IMIDAZOPYRIDIN-2-ONE
  申请人：MERCK SHARP & DOHME

  公开号：WO2011034741A1

  公开（公告）日：2011-03-24

  The present invention is directed to imidazopyridin-2-one derivatives which are potentiators of metabotropic glutamate receptors, particularly the mGluR2 receptor, and which are useful in the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which metabotropic glutamate receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which metabotropic glutamate receptors are involved.

  本发明涉及嘌呤吡啶-2-酮衍生物，它们是代谢型谷氨酸受体的增效剂，特别是mGluR2受体，对治疗或预防与谷氨酸功能障碍相关的神经和精神疾病以及代谢型谷氨酸受体参与的疾病具有用处。该发明还涉及包含这些化合物的药物组合物以及在预防或治疗这些代谢型谷氨酸受体参与的疾病中使用这些化合物和组合物。
• Haloalkyl-substituted pyrimidinone derivatives
  申请人：Blum A. Charles

  公开号：US20080090845A1

  公开（公告）日：2008-04-17

  Haloalkyl-substituted pyrimidinone derivatives are provided, of the Formula: wherein variables are as described herein. Such compounds are ligands that may be used to modulate specific receptor activity in vivo or in vitro, and are particularly useful in the treatment of conditions associated with pathological receptor activation in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for using such compounds to treat such disorders are provided, as are methods for using such ligands for receptor localization studies.

  提供了Haloalkyl-取代的嘧啶酮衍生物，其化学式为：其中变量如本文所述。这些化合物是配体，可用于调节体内或体外特定受体活性，并且在治疗与人类、家养伴侣动物和家畜动物的病理性受体激活相关的疾病方面特别有用。还提供了用于治疗此类疾病的制药组合物和方法，以及使用此类配体进行受体定位研究的方法。
• Positive allosteric modulators of MGLUR2
  申请人：Arrington Kenneth L.

  公开号：US08765784B2

  公开（公告）日：2014-07-01

  The present invention is directed to 5-substituted 1,3-dihydro-2H-imidazo[4,5-b]pyridine-2-one derivatives which are positive allosteric modulators of the mGluR2 receptor, useful in the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which the mGluR2 receptor is involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which metabotropic glutamate receptors are involved, such as schizophrenia.

  本发明涉及5-取代的1,3-二氢-2H-咪唑并[4,5-b]吡啶-2-酮衍生物，它们是mGluR2受体的正向变构调节剂，可用于治疗或预防与谷氨酸功能障碍相关的神经和精神障碍以及涉及mGluR2受体的疾病。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗涉及代谢型谷氨酸受体的疾病（如精神分裂症）中使用这些化合物和组合物。
• POSITIVE ALLOSTERIC MODULATORS OF MGLUR2
  申请人：Arrington Kenneth L.

  公开号：US20130210768A1

  公开（公告）日：2013-08-15

  The present invention is directed to 5-substituted 1,3-dihydro-2H-imidazo[4,5-b]pyridine-2-one derivatives which are positive allosteric modulators of the mGluR2 receptor, useful in the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which the mGluR2 receptor is involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which metabotropic glutamate receptors are involved, such as schizophrenia.

  本发明涉及5-取代的1,3-二氢-2H-咪唑[4,5-b]吡啶-2-酮衍生物，它们是mGluR2受体的正向变构调节剂，可用于治疗或预防与谷氨酸功能障碍有关的神经和精神障碍以及涉及mGluR2受体的疾病。本发明还涉及包含这些化合物的药物组合物以及在预防或治疗涉及代谢型谷氨酸受体的疾病（如精神分裂症）中使用这些化合物和组合物的用途。
• Phenyl substituted pyrazoles as modulators of RORγt
  申请人：Janssen Pharmaceutica NV

  公开号：US10975037B2

  公开（公告）日：2021-04-13

  The present invention comprises compounds of Formula I. wherein: R1, R3, R4, R5, R6, R7, R8, and Q are defined in the specification. The invention also comprises a method of treating or ameliorating a ROR-γ-t mediated syndrome, disorder or disease, including wherein the syndrome, disorder or disease is selected from the group consisting of rheumatoid arthritis, psoriatic arthritis, and psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula I.

  本发明包括式 I 的化合物。 其中 R1、R3、R4、R5、R6、R7、R8 和 Q 的定义见说明书。 本发明还包括一种治疗或改善 ROR-γ-t 介导的综合征、紊乱或疾病的方法，其中综合征、紊乱或疾病选自由类风湿性关节炎、银屑病关节炎和银屑病组成的组。本发明还包括一种通过施用治疗有效量的至少一种式 I 化合物来调节哺乳动物体内 RORγt 活性的方法。