m-pentoxyphenol | 18979-73-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: m-pentoxyphenol
• 英文别名: 3-(n-pentoxy)phenol；3-(Pentyloxy)phenol；3-pentoxyphenol
• CAS: 18979-73-2
• 化学式: C₁₁H₁₆O₂
• 分子量: 180.247
• InChiKey: IOOCVIRRKFNHEL-UHFFFAOYSA-N

物化性质

• 沸点：
  273.08°C (rough estimate)
• 密度：
  1.0044 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2909500000

反应信息

• 作为反应物：
  描述：

  m-pentoxyphenol 在 吡啶 、 tetraphosphorus decasulfide 、 三氯氧磷 作用下， 反应 6.5h， 生成 2-(diethylamino)-7-n-pentyloxy-4H-1-benzopyran-4-thione
  参考文献：
  名称：

  2-(Dialkylamino)-4H-1-benzopyran-4-one derivatives modify chloride conductance in CFTR expressing cells

  摘要：

  Some 2-(diethylamino)-7-hydroxy-4H-1-benzopyran-4-one derivatives, potentially useful as activators of the cystic fibrosis transmembrane conductance regulator (CFTR), were prepared. The synthesized compounds were tested, together with others 2-(dialkylamino)-7-hydroxybenzopyran-4-one derivatives, by measuring their capacity to modify the kinetics of iodide influx in Fisher rat thyroid cells expressing wild type CFTR and the halide-sensitive yellow fluorescent protein. Among the tested compounds the dinitrile derivatives 8 and 9 are endowed with an activity comparable to the reference compound apigenin.

  DOI：

  10.1016/s0014-827x(03)00155-1
• 作为产物：
  描述：

  4-甲氧基苯基氧化钠 在 乙醚 、 乙醇 、 氨 、 sodium 作用下， 生成 m-pentoxyphenol
  参考文献：
  名称：

  25.通过溶解金属进行还原。第四部分

  摘要：

  DOI：

  10.1039/jr9470000102

文献信息

• Structural Basis for Developing Multitarget Compounds Acting on Cysteinyl Leukotriene Receptor 1 and G-Protein-Coupled Bile Acid Receptor 1
  作者：Bianca Fiorillo、Valentina Sepe、Paolo Conflitti、Rosalinda Roselli、Michele Biagioli、Silvia Marchianò、Pasquale De Luca、Giuliana Baronissi、Pasquale Rapacciuolo、Chiara Cassiano、Bruno Catalanotti、Angela Zampella、Vittorio Limongelli、Stefano Fiorucci

  DOI：10.1021/acs.jmedchem.1c01078

  日期：2021.11.25

  of compounds with dual activity toward cysteinyl leukotriene receptor 1 (CysLT1R) and G-protein-coupled bile acid receptor 1 (GPBAR1). They are derivatives of REV5901─the first reported dual compound─with therapeutic potential in the treatment of colitis and other inflammatory processes. We report the binding mode of the most active compounds in the two GPCRs, revealing unprecedented structural basis

  G 蛋白偶联受体 (GPCR) 是 40% 的已上市药物的分子靶标，也是开发新疗法的研究最多的结构。GPCRs 超家族的不同成员可以调节作用于不同途径的相同细胞过程，因此代表了实现具有协同药理作用的多靶点药物的有吸引力的机会。在这里，我们提出了一系列对半胱氨酰白三烯受体 1 (CysLT 1 ) 具有双重活性的化合物。R) 和 G 蛋白偶联胆汁酸受体 1 (GPBAR1)。它们是 REV5901 的衍生物——第一个报道的双重化合物——在治疗结肠炎和其他炎症过程中具有治疗潜力。我们报告了两种 GPCR 中最活跃的化合物的结合模式，为未来的药物设计研究揭示了前所未有的结构基础，包括存在与配体中的芳环适当间隔的极性基团以与CysLT 1 R的 Arg79 2.60相互作用并实现双重活动。
• [EN] PROCESS FOR THE PREPARATION OF A COSMETIC ACTIVE<br/>[FR] PROCEDE DE PREPARATION D'UN PRINCIPE ACTIF COSMETIQUE
  申请人：UNILEVER PLC

  公开号：WO2005005355A1

  公开（公告）日：2005-01-20

  A process for the preparation of a compound of formula (I) wherein R is a hydrogen or a C1-6 alkyl group which is straight chain, branched or cyclic, with or without an oxygen, nitrogen or sulphur heteroatom anywhere in the chain or ring by reacting a compound of formula (II) with a source of hydrogen selected from either hydrogen or water in the presence of a mixture of at least two catalysts selected from nickel, raney nickel, and palladium, at a pH below 7.0 in a solvent medium comprising an alcohol having a carbon chain length of up to 3.

  一种制备式(I)化合物的方法，其中R是氢或直链、支链或环状的C1-6烷基基团，链或环中任意位置可能有氧、氮或硫杂原子，通过将式(II)化合物与选择自氢或水的氢源在存在至少两种催化剂的混合物的条件下，所述催化剂选择自镍、兰尼镍和钯，在pH低于7.0的溶剂介质中进行反应，所述溶剂包括碳链长度最多为3的醇。
• Phosphinyloxy propanaminium inner salt derivatives
  申请人：Sandoz Ltd.

  公开号：US05516767A1

  公开（公告）日：1996-05-14

  Compounds of the formula ##STR1## where X.sub.1 and X.sub.2 are independently O or S, and R.sub.1 is as defined in the description R.sub.2, R.sub.3, and R.sub.4 are each independently straight or branched chain (C.sub.1-4)alkyl, and pharmaceutically acceptable salts, physiological hydrolysable esters, and pro-drug forms thereof are useful as hypoglycemic agents.

  式为##STR1##的化合物，其中X.sub.1和X.sub.2分别为O或S，R.sub.1如描述中所定义，R.sub.2、R.sub.3和R.sub.4各自独立地为直链或支链(C.sub.1-4)烷基，以及其药学上可接受的盐、生理可水解酯和前药形式可用作降血糖药物。
• Process for preparing phosphinyloxy propanaminium inner salt derivatives
  申请人：Sandoz Ltd.

  公开号：US05412137A1

  公开（公告）日：1995-05-02

  A process for preparing compounds of the formula ##STR1## where X.sub.1 and X.sub.2 are independently O or S, and R.sub.1 is as defined herein, R.sub.2, R.sub.3, and R.sub.4 are each independently straight or branched chain (C.sub.1-4)alkyl, and pharmaceutically acceptable salts, physiological hydrolyzable esters, and pro-drug forms thereof, which are useful as hypoglycemic agents.

  制备化合物的方法，化合物的结构式为##STR1## 其中X.sub.1和X.sub.2分别独立地为O或S，R.sub.1如本文所定义，R.sub.2、R.sub.3和R.sub.4分别独立地为直链或支链(C.sub.1-4)烷基，以及其药用盐、生理可水解酯和前药形式，这些化合物可用作降糖药物。
• AlCl3 induced C-arylation/cyclization in a single pot: a new route to benzofuran fused N-heterocycles of pharmacological interest
  作者：K. Shiva Kumar、Raju Adepu、Ravikumar Kapavarapu、D. Rambabu、G. Rama Krishna、C. Malla Reddy、K. Krishna Priya、Kishore V.L. Parsa、Manojit Pal

  DOI：10.1016/j.tetlet.2011.12.096

  日期：2012.2

  A new and one-pot synthesis of benzofuran fused N-heterocycles has been accomplished via AlCl3-mediated C–C followed by C–O bond formation between 2,3-dichloropyrazine or its derivatives and phenols. The methodology provided novel compounds as potential inhibitors of PDE4B. The single crystal X-ray data of a synthesized benzofuran derivative are presented. Scope of the methodology, in vitro pharmacological

  通过AlCl 3介导的C–C，然后在2,3-二氯吡嗪或其衍生物与酚之间形成C–O键，已经完成了一种新的一锅法合成苯并呋喃稠合的N-杂环。该方法提供了新型化合物作为PDE4B的潜在抑制剂。给出了合成的苯并呋喃衍生物的单晶X射线数据。描述了方法的范围，一些合成化合物的体外药理数据以及对活性化合物的对接研究。