2-[4-(叔丁基)苯氧基]-2-甲基丙酸 | 76674-58-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-[4-(叔丁基)苯氧基]-2-甲基丙酸
• 英文名称: 2-(4-Tert-butylphenoxy)-2-methylpropanoic acid
• CAS: 76674-58-3
• 化学式: C₁₄H₂₀O₃
• mdl: MFCD00830768
• 分子量: 236.31
• InChiKey: MINZYOMFMKWNIN-UHFFFAOYSA-N

物化性质

• 沸点：
  343.3±25.0 °C(Predicted)
• 密度：
  1.053±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  2-[4-(叔丁基)苯氧基]-2-甲基丙酸 、 (4R,6R)-6-{(1S,2S,6S,8S,8aR)-2-[1,2,6,7,8,8a-hexahydro-6-t-butyldimethylsilyloxy-8-hydroxy-2-methyl-1-naphthyl]ethyl}tetrahydro-4-t-butyldimethyl silyloxy-2H-pyran-2-one 以to give 1.12 g of the title compound as a colorless foam的产率得到(4R,6R)-6-([1S,2S,6S,8S,8aR]-2-{1,2,6,7,8,8a-Hexahydro-6-t-butyldimethylsilyloxy-8-[2-(4-t-butylphenoxy)-2-methylpropionyloxy]-2-methyl-1-naphthyl}ethyl)tetrahydro-4-t-butyldimethylsilyloxy-2H-pyran-2-one
  参考文献：
  名称：

  Hexahydronaphthalene ester derivatives, their preparation and their

  摘要：

  式(I)的化合物：##STR1##及其盐和酯具有抑制胆固醇合成的能力，因此可用于治疗和预防高胆固醇血症和各种心脏疾病。

  公开号：

  US05491167A1

文献信息

• [EN] ARYL OR HETEROARYL CARBONYL DERIVATIVES DERIVATIVES USEFUL AS VANILLOID RECEPTOR 1 (VR1) ANTAGONISTS<br/>[FR] DÉRIVÉS ARYLCARBONYLIQUES OU HÉTÉROARYLCARBONYLIQUES UTILES COMME ANTAGONISTES DU RÉCEPTEUR VANILLOÏDE DE TYPE 1 (VR1)
  申请人：PFIZER JAPAN INC

  公开号：WO2006016218A1

  公开（公告）日：2006-02-16

  This invention provides a compound of the formula (I): wherein R1 and R2 independently represent hydrogen or (C1-C6)alkyl or the like; R3 and R4 independently represent hydrogen or (C1-C3)alkyl; n represents 1 or 2; A represents phenyl or a monocyclic heteroaryl having from 5 to 6 atoms or the like; and R5 and R6 each independently represent halogen, (C1-C6)alkyl, cyano, hydroxy, hydroxy(C1-C6)alkyl, (C1-C6)alkoxy, halo(C1-C6)alkyl, (C1-C6)alkylthio, (C1-C6)alkylsulfinyl and (C1-C6)alkylsulfonyl; or a pharmaceutically acceptable ester of such compound, or a pharmaceutically acceptable salt thereof. These compounds are useful for the treatment of disease conditions caused by overactivation of VR1 receptor such of pain, or the like in mammalian. This invention also provides a pharmaceutical composition comprising the above compound.

  该发明提供了一种具有以下结构的化合物（I）：其中R1和R2分别代表氢或（C1-C6）烷基等；R3和R4分别代表氢或（C1-C3）烷基；n代表1或2；A代表苯基或具有5至6个原子的单环杂环烷基等；R5和R6各自独立地代表卤素，（C1-C6）烷基，氰基，羟基，羟基（C1-C6）烷基，（C1-C6）氧基，卤代（C1-C6）烷基，（C1-C6）硫代烷基，（C1-C6）磺酰基或（C1-C6）磺酰基；或该化合物的药学上可接受的酯，或其药学上可接受的盐。这些化合物对于治疗由VR1受体过度活化引起的疾病状况，如疼痛等，在哺乳动物中很有用。该发明还提供了一种包含上述化合物的药物组合物。
• G-protein Coupled Receptor Agonists
  申请人：Barba Oscar

  公开号：US20090203676A1

  公开（公告）日：2009-08-13

  Compounds of formula (I): or pharmaceutically acceptable salts thereof, are GPCR agonists and are useful as for the treatment of obesity and diabetes.

  式(I)的化合物或其药学上可接受的盐，是GPCR激动剂，可用于治疗肥胖症和糖尿病。
• C-3 novel triterpenone with C-28 urea derivatives as HIV inhibitors
  申请人：Hetero Labs Limited

  公开号：US10669305B2

  公开（公告）日：2020-06-02

  The present invention relates to C-3 novel triterpenone with C-28 urea derivatives of formula (I); or pharmaceutically acceptable salts, pharmaceutically acceptable solvates, pharmaceutically acceptable hydrates, tautomers, stereoisomers, prodrugs, compositions or combination thereof, wherein R1, R2, R3, W, J and X are as defined herein. The present invention also relates to pharmaceutical compositions comprising compounds of formula (I) useful for the treatment of viral diseases and particularly HIV mediated diseases.

  本发明涉及式(I)的C-3新型三萜酮与C-28脲衍生物；或药学上可接受的盐、药学上可接受的溶液、药学上可接受的水合物、同分异构体、立体异构体、原药、组合物或其组合，其中R1、R2、R3、W、J和X如本文所定义。本发明还涉及由式（I）化合物组成的药物组合物，该组合物用于治疗病毒性疾病，特别是 HIV 介导的疾病。
• C-3 novel triterpenone with C-17 reverse amide derivatives as HIV inhibitors
  申请人：HETERO LABS LIMITED

  公开号：US11034718B2

  公开（公告）日：2021-06-15

  The invention relates to C-3 novel triterpenone with C-17 reverse amide derivatives, related compounds, and pharmaceutical compositions useful for the therapeutic treatment of viral diseases and particularly HIV mediated diseases.

  本发明涉及 C-3 新型三萜酮与 C-17 反向酰胺衍生物、相关化合物和药物组合物，可用于治疗病毒性疾病，特别是艾滋病病毒介导的疾病。
• Methods of modulating high-density lipoprotein cholesterol levels and pharmaceutical formulations for the same
  申请人：Friedman M. Jonathan

  公开号：US20060111346A1

  公开（公告）日：2006-05-25

  Method of modulating High-Density Lipoprotein Cholesterol (HDL-C) levels in a mammal by administering to the mammal a therapeutically effective amount of a fluphenazine ester derivative. Pharmaceutical formulations for administration of the fluphenazine ester derivative are also disclosed.

  通过向哺乳动物施用治疗有效量的氟奋乃静酯衍生物，调节哺乳动物体内高密度脂蛋白胆固醇（HDL-C）水平的方法。还公开了用于给药氟奋乃静酯类衍生物的药物制剂。