3-[(4-氯苯基)甲氧基]苯酚 | 65250-71-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3-[(4-氯苯基)甲氧基]苯酚
• 英文名称: 3-((4-chlorobenzyl)oxy)phenol
• 英文别名: 3-[(4-Chlorophenyl)methoxy]phenol
• CAS: 65250-71-7
• 化学式: C₁₃H₁₁ClO₂
• mdl: MFCD11181965
• 分子量: 234.682
• InChiKey: OSTALVRPSNAAOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.076
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-[(4-氯苯基)甲氧基]苯酚 在 吡啶 、 水 、 potassium carbonate 、 caesium carbonate 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 3.0h， 生成 (5-{3-[3-(4-chlorobenzyloxy)phenoxy]propoxy}-1H-indol-3-yl)acetic acid
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of a series of alkoxy-3-indolylacetic acids as peroxisome proliferator-activated receptor γ/δ agonists

  摘要：

  A series of alkoxy-3-indolylacetic acid analogs has been discovered as peroxisome proliferator-activated receptor (PPAR) agonists. Structure-activity relationship study indicated that PPAR alpha/gamma/delta activities were dependent on the nature of the hydrophobic group, the attachment position of the alkoxy linker to the indole ring, and N-alkylation of indole nitrogen. Some compounds presented significant PPAR gamma/delta activity and molecular modeling suggested their putative binding modes in the ligand binding domain of PPAR gamma. Of these, compound 51 was selected for in vivo study via an evaluation of microsomal stability in mouse and human liver. Compound 51 lowered the levels of fasting blood glucose, insulin, and HbA1c without gain in body weight in db/db mice. When compound 51 was treated, hepatic triglycerides level and the size of adipocytes in white adipose tissue of db/db mice were also reduced as opposed to treatment with rosiglitazone. Taken together, compound 51 shows high potential warranting further studies in models for diabetes and related metabolic disorders and may be in use as a chemical tool for the understanding of PPAR biology. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2015.04.046
• 作为产物：
  描述：

  3-((tert-butyldimethylsilyl)oxy)phenol 在 偶氮二甲酸二异丙酯 、 四丁基氟化铵 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 3-[(4-氯苯基)甲氧基]苯酚
  参考文献：
  名称：

  PROTEIN KINASE INHIBITORS

  摘要：

  本发明涉及一种新型的蛋白激酶抑制剂家族。具体而言，本发明涉及Tec和Src蛋白激酶家族成员的抑制剂。

  公开号：

  US20150191473A1

文献信息

• Topographical Mapping of Isoform-Selectivity Determinants for J-Channel-Binding Inhibitors of Sphingosine Kinases 1 and 2
  作者：David R. Adams、Salha Tawati、Giacomo Berretta、Paula Lopez Rivas、Jessica Baiget、Zhong Jiang、Aisha Alsfouk、Simon P. Mackay、Nigel J. Pyne、Susan Pyne

  DOI：10.1021/acs.jmedchem.9b00162

  日期：2019.4.11

  which has yet to be defined by structural biology techniques. We have probed these isoform differences with a ligand series derived from the potent SK1-selective inhibitor, PF-543. Here we show how it is possible, even with relatively conservative changes in compound structure, to systematically tune the activity profile of a ligand from ca. 100-fold SK1-selective inhibition, through equipotent SK1/SK2

  鞘氨醇激酶（SK1和SK2）催化鞘氨醇向1-磷酸鞘氨醇的转化，并在脂质信号传导和细胞反应中起关键作用。SK2的同工型氨基酸序列差异到最近可用的SK1晶体结构上的映射表明，SK2中与脂质结合的“ J通道”的底部存在细微的结构差异，其结构尚待确定生物学技术。我们已经用衍生自强效SK1选择性抑制剂PF-543的配体系列探索了这些同工型差异。在这里，我们显示了即使化合物结构发生相对保守的变化，也有可能系统地调节ca的配体活性。通过等效的SK1 / SK2抑制，可实现100倍的SK1选择性抑制，
• [EN] PROTEIN KINASE INHIBITORS<br/>[FR] INHIBITEURS DE PROTÉINE KINASES
  申请人：PHARMASCIENCE INC

  公开号：WO2013177668A1

  公开（公告）日：2013-12-05

  The present invention relates to a novel family of inhibitors of protein kinases. In particular, the present invention relates to inhibitors of the members of the Tec and Src protein kinase families.

  本发明涉及一种新型的蛋白激酶抑制剂家族。具体而言，本发明涉及Tec和Src蛋白激酶家族成员的抑制剂。
• 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives
  申请人：Bartkovitz Joseph David

  公开号：US20070060607A1

  公开（公告）日：2007-03-15

  The present invention relates to compounds of the formula medicaments containing them and the use of these compounds as pharmaceutically active agents. The compounds exhibit activity as Raf kinase inhibitors and therefore may be useful for the treatment of diseases mediated by said kinases, especially as anticancer agents.

  本发明涉及公式化合物、含有它们的药物以及将这些化合物用作药用活性剂的用途。这些化合物表现出作为Raf激酶抑制剂的活性，因此可能对通过该激酶介导的疾病的治疗有用，特别是作为抗癌剂。
• Plant growth regulators and their use
  申请人：J.T. Baker Chemical Co.

  公开号：EP0044536A1

  公开（公告）日：1982-01-27

  Benzyl phenyl ethers are disclosed as inhibitors of cytokinin plant growth regulatory activity and as possessing seed germination regulatory properties and senescence delaying activity when applied to plants. Benzyl phenyl ethers may also be useful as plant dwarfing agents, agents to retard seedling development or as herbicides.

  苄基苯基醚是细胞分裂素植物生长调节活性的抑制剂，应用于植物时具有种子发芽调节特性和延缓衰老活性。苄基苯基醚还可用作植物矮化剂、幼苗发育迟缓剂或除草剂。
• NOVEL P62 LIGAND COMPOUND, AND COMPOSITION CONTAINING SAME FOR PREVENTING, ALLEVIATING, OR TREATING PROTEIN ABNORMALITY DISORDERS
  申请人：Protech Co., Ltd.

  公开号：EP3828162A1

  公开（公告）日：2021-06-02

  The present invention relates to a novel p62 ligand compound, a stereoisomer, hydrate, solvate or prodrug thereof, and a pharmaceutical or food composition for preventing or treating proteinopathies comprising the same as an active ingredient. The p62 ligand compound according to the present invention can be usefully used as a pharmaceutical composition for the prevention, amelioration or treatment of various proteinopathies by activating autophagy in cells and thus selectively eliminating in vivo proteins, organelles and aggregates.

  本发明涉及一种新型 p62 配体化合物、其立体异构体、水合物、溶质或原药，以及以其为活性成分的用于预防或治疗蛋白病的药物或食品组合物。根据本发明的 p62 配体化合物通过激活细胞自噬，从而选择性地消除体内蛋白质、细胞器和聚集物，可有效地用作药物组合物，用于预防、改善或治疗各种蛋白质病。