1-甲基-4-戊氧基苯 | 33426-70-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-甲基-4-戊氧基苯
• 英文名称: 1-(4-Methylphenoxy)pentane
• 英文别名: 1-pentyloxy-4-toluene；4-pentyloxytoluene；p-(pentyloxy)toluene；4-Pentoxytoluene；1-methyl-4-pentoxybenzene
• CAS: 33426-70-9
• 化学式: C₁₂H₁₈O
• 分子量: 178.274
• InChiKey: QWSTVRJDZCXFKN-UHFFFAOYSA-N

物化性质

• 沸点：
  251.0±9.0 °C(Predicted)
• 密度：
  0.910±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  ——	1-Bromo-5-(2-bromo-4-methylphenoxy)pentane	76429-82-8	C12H16Br2O	336.066

反应信息

• 作为产物：
  描述：

  2-溴-4-甲基苯酚 在 sodium hydroxide 、 叔丁基锂 作用下， 以 水 为溶剂， 反应 8.0h， 生成 1-甲基-4-戊氧基苯
  参考文献：
  名称：

  Oxygen heterocycles by the Parham cyclialkylation

  摘要：

  DOI：

  10.1021/jo00320a032

文献信息

• COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES
  申请人：Arvinas, Inc.

  公开号：US20190151295A1

  公开（公告）日：2019-05-23

  The present disclosure relates to bifunctional compounds, which find utility as modulators of Interleukin-1 Receptor-Associated Kinase 4 (IRAK-4); the target protein). In particular, the present disclosure is directed to bifunctional compounds, which contain on one end a Von Hppel-Lindau, cereblon, ligand which binds to the E3 ubiquitin ligase and on the other end a moiety which binds the target protein, such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of target protein. The present disclosure exhibits a broad range of pharmacological activities associated with degradation/inhibition of target protein. Diseases or disorders that result from aggregation or accumulation of the target protein are treated or prevented with compounds and compositions of the present disclosure.

  本公开涉及双功能化合物，其作为白细胞介素-1受体相关激酶4（IRAK-4；目标蛋白）的调节剂具有实用性。具体而言，本公开涉及包含一端结合E3泛素连接酶的Von Hppel-Lindau、cereblon配体的双功能化合物，另一端结合目标蛋白的部分，使得目标蛋白靠近泛素连接酶以实现目标蛋白的降解（和抑制）。本公开展示了与目标蛋白的降解/抑制相关的广泛药理活性。本公开的化合物和组合物用于治疗或预防由目标蛋白聚集或积累导致的疾病或紊乱。
• Competing Pathways in O-Arylations with Diaryliodonium Salts: Mechanistic Insights
  作者：Elin Stridfeldt、Erik Lindstedt、Marcus Reitti、Jan Blid、Per-Ola Norrby、Berit Olofsson

  DOI：10.1002/chem.201703057

  日期：2017.9.21

  Put a ring on it! The arylation of aliphatic alcohols and hydroxide with diaryliodonium salts, to give alkyl aryl ethers and diaryl ethers, has been studied using experimental techniques and DFT calculations. Aryne formation and alcohol oxidation pathways were observed in parallel to arylation, and additives to avoid by-product formation originating from arynes have been found. A novel, direct nucleophilic

  戴上戒指！已经使用实验技术和DFT计算研究了脂肪族醇和氢氧化物与二芳基碘鎓盐的芳基化，以得到烷基芳基醚和二芳基醚。观察到芳基形成和醇氧化途径与芳基化同时进行，并且发现了避免源自芳烃的副产物形成的添加剂。在与缺电子的二芳基碘鎓盐的反应中已经鉴定出新颖的直接亲核取代途径。
• [EN] SUBSTITUTED 3- AND 4- AMINOMETHYLPIPERIDINES FOR USE AS BETA-SECRETASE IN THE TREATMENT OF ALZHEIMER'S DISEASE<br/>[FR] 3- ET 4- AMINOMETHYLPIPERIDINES SUBSTITUEES UTILISEES COMME BETA-SECRETASE DANS LE TRAITEMENT DE LA MALADIE D'ALZHEIMER
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2004002483A1

  公开（公告）日：2004-01-08

  The invention relates to novel compounds, which are substituted chiral or achiral derivatives of 3- or 4- aminomethylpiperidine of the general formula (I). The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more compounds of general formula (I) and especially their use as inhibitors of beta-secretases for the treatment of Alzheimer’s disease.

  本发明涉及新型化合物，其为通式（I）的3-或4-氨基甲基哌啶的取代手性或非手性衍生物。本发明还涉及包括制备这些化合物的工艺、含有一种或多种通式（I）化合物的药物组合物以及特别是它们作为β-分泌酶抑制剂用于治疗阿尔茨海默病的相关方面。
• CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME
  申请人：Arvinas, Inc.

  公开号：US20180215731A1

  公开（公告）日：2018-08-02

  The description relates to cereblon E3 ligase binding compounds, including bifunctional compounds comprising the same, which find utility as modulators of targeted ubiquitination, especially inhibitors of a variety of polypeptides and other proteins which are degraded and/or otherwise inhibited by bifunctional compounds according to the present disclosure. In particular, the description provides compounds, which contain on one end a ligand which binds to the cereblon E3 ubiquitin ligase and on the other end a moiety which binds a target protein such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of that protein. Compounds can be synthesized that exhibit a broad range of pharmacological activities consistent with the degradation/inhibition of targeted polypeptides of nearly any type.

  该描述涉及cereblon E3连接酶结合化合物，包括包含相同成分的双功能化合物，这些化合物作为靶向泛素化的调节剂具有实用价值，尤其是抑制剂，可降解和/或以其他方式抑制根据本公开的双功能化合物。特别是，该描述提供了化合物，其一端含有与cereblon E3泛素连接酶结合的配体，另一端含有与目标蛋白结合的部分，使目标蛋白位于泛素连接酶附近以降解（和抑制）该蛋白。可以合成表现出广泛药理活性的化合物，与几乎所有类型的靶向多肽的降解/抑制一致。
• TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS
  申请人：Arvinas, Inc.

  公开号：US20180155322A1

  公开（公告）日：2018-06-07

  The present disclosure relates to bifunctional compounds, which find utility as modulators of estrogen receptor (target protein). In particular, the present disclosure is directed to bifunctional compounds, which contain on one end at least one of a Von Hippel-Lindau ligand, a cereblon ligand, Inhibitors of Apoptosis Proteins ligand, mouse double-minute homolog 2 ligand, or a combination thereof, which binds to the respective E3 ubiquitin ligase, and on the other end a moiety which binds the target protein, such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of target protein. The present disclosure exhibits a broad range of pharmacological activities associated with degradation/inhibition of target protein. Diseases or disorders that result from aggregation or accumulation of the target protein are treated or prevented with compounds and compositions of the present disclosure.

  本公开涉及双功能化合物，这些化合物可用作雌激素受体（目标蛋白）的调节剂。特别是，本公开涉及包含在一段至少有一种Von Hippel-Lindau配体、一种cereblon配体、凋亡抑制蛋白配体、小鼠双分钟同源2配体或其组合的双功能化合物，这些配体与相应的E3泛素连接酶结合，在另一端有一个与目标蛋白结合的部分，使得目标蛋白被置于泛素连接酶附近，以实现目标蛋白的降解（和抑制）。本公开展示了与目标蛋白降解/抑制相关的广泛药理活性。可以通过本公开的化合物和组合物治疗或预防由目标蛋白聚集或积累引起的疾病或障碍。