2-(4-tert-butyldimethylsilyloxyphenyl)-2-methylpropanenitrile | 210551-82-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(4-tert-butyldimethylsilyloxyphenyl)-2-methylpropanenitrile
• 英文别名: 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropanenitrile
• CAS: 210551-82-9
• 化学式: C₁₆H₂₅NOSi
• 分子量: 275.466
• InChiKey: DPKJNRKIIXFDLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.87
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-tert-butyldimethylsilyloxyphenyl)-2-methylpropanenitrile 在 lithium aluminium tetrahydride 、 四丁基氟化铵 、 碳酸氢钠 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 18.25h， 生成 tert-butyl 2-(4-hydroxyphenyl)-2-methylpropylcarbamate
  参考文献：
  名称：

  Exploring the Structure−Activity Relationship of the Ethylamine Portion of 3-Iodothyronamine for Rat and Mouse Trace Amine-Associated Receptor 1

  摘要：

  3-Iodothyronamine (1, T(1)AM) is a naturally occurring derivative of thyroid hormone that can potently activate the orphan G protein-coupled receptor (GPCR) known as the trace amine-associated receptor 1 (TAAR(1)). We have previously found that modifying the outer ring of the phenoxyphenethylamine core scaffold of 1 can improve potency and provide potent agonists. In this study, we explored the tolerance of rat and mouse TAAR(1) (rTAAR(1) and mTAAR(1)) for structural modifications in the ethylamine portion of 1. We found that incorporating unsaturated hydrocarbon substituents and polar, hydrogen-bond-accepting groups were beneficial for rTAAR(1) and mTAAR(1), respectively, providing compounds that were equipotent or more potent than 1. Additionally, we have discovered that a naphthyl group is an excellent isosteric replacement for the iodophenyl ring of 1.

  DOI：

  10.1021/jm0700417
• 作为产物：
  描述：

  2-(4-((tert-butyldimethylsilyl)oxy)phenyl)acetonitrile 、 碘甲烷 在 sodium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 1.33h， 生成 2-(4-tert-butyldimethylsilyloxyphenyl)-2-methylpropanenitrile
  参考文献：
  名称：

  [EN] OXAZOLOBENZIMIDAZOLE DERIVATIVES
  [FR] DÉRIVÉS D'OXAZOLOBENZIMIDAZOLE

  摘要：

  本发明涉及噁唑基苯并咪唑衍生物，它们是代谢型谷氨酸受体的增强剂，特别是mGluR2受体，可用于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。该发明还涉及包含这些化合物的药物组合物，以及在预防或治疗代谢型谷氨酸受体参与的这类疾病中使用这些化合物和组合物。

  公开号：

  WO2009140163A1

文献信息

• [EN] 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS<br/>[FR] DERIVES DE 2-(6-AMINO-PYRIDINE-3-YL)-2-HYDROXYETHYLAMINE UTILISES COMME AGONISTES DES RECEPTEURS BETA 2-ADRENERGIQUES
  申请人：PFIZER LTD

  公开号：WO2004108676A1

  公开（公告）日：2004-12-16

  The invention relates to compounds of formula (1) and to processes for the preparation of, intermediates used in the preparation of, compositions containing and the uses of, such derivatives. The compounds according to the present invention are useful in numerous diseases, disorders and conditions, in particular inflammatory, allergic and respiratory diseases, disorders and conditions.

  该发明涉及公式（1）的化合物，以及用于制备、用于制备的中间体、含有和用途的过程。根据本发明的化合物在许多疾病、紊乱和状况中特别有用，特别是在炎症性、过敏性和呼吸系统疾病、紊乱和状况中。
• Sulfonamide derivatives for the treatment of diseases
  申请人：Brown Daniel Alan

  公开号：US20050182091A1

  公开（公告）日：2005-08-18

  The invention relates to compounds of formula (1) and to processes for the preparation of, intermediates used in the preparation of, compositions containing and the uses of, such derivatives. The compounds according to the present invention are useful in numerous diseases, disorders and conditions, in particular inflammatory, allergic and respiratory diseases, disorders and conditions.

  该发明涉及公式（1）的化合物，以及用于制备、用于制备的中间体、含有和使用这些衍生物的组合物的过程。根据本发明的化合物在许多疾病、紊乱和状况中具有用途，特别是在炎症性、过敏性和呼吸系统疾病、紊乱和状况中。
• OXAZOLOBENZIMIDAZOLE DERIVATIVES
  申请人：Brnardic Edward J.

  公开号：US20110065669A1

  公开（公告）日：2011-03-17

  The present invention is directed to oxazolobenzimidazole 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.

  本发明涉及噁唑苯并咪唑衍生物，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。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的用途。