3,4-bis((4-fluorobenzyl)oxy)benzaldehyde

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3,4-bis((4-fluorobenzyl)oxy)benzaldehyde
• 英文别名: 3,4-Bis[(4-fluorobenzyl)oxy]benzaldehyde；3,4-bis[(4-fluorophenyl)methoxy]benzaldehyde
• 化学式: C₂₁H₁₆F₂O₃
• 分子量: 354.353
• InChiKey: SXMNWKBBBYQNGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,4-bis((4-fluorobenzyl)oxy)benzaldehyde 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以20 g的产率得到3,4-bis((4-fluorobenzyl)oxy)phenol
  参考文献：
  名称：

  WO2023/14006

  摘要：

  公开号：
• 作为产物：
  描述：

  4-氟溴苄 、 3,4-二羟基苯甲醛 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 以82%的产率得到3,4-bis((4-fluorobenzyl)oxy)benzaldehyde
  参考文献：
  名称：

  [EN] P62-ZZ CHEMICAL INHIBITOR
  [FR] INHIBITEUR CHIMIQUE DE P62-ZZ

  摘要：

  具有以下公式I的化合物或其药学上可接受的盐：（I）其中Ar为芳基或杂芳基；R1具有以下结构：（II）其中W为脂肪二基，烯基二基，羰基或其组合；X为-NR5-，其中R5为氢或烷基，或-O-；Y为可选取代的环烷基，可选取代的环烷基取代烷基，可选取代的杂环烷基或可选取代的杂环烷基取代烷基；每个R2相同或不同，具有以下结构：（III）其中Z为-NR6-，其中R6为氢或烷基，-O-，-S-或-CH2-；Z1为(-CH2-)m，其中m为0至5，或具有2至6个碳原子的烯基二基；Cy为3-8成员的环烷基，杂环烷基，芳基或杂芳基环；每个R4相同或不同，选择自羟基，卤素，取代或未取代的烷氧基，取代或未取代的烷基或氨基；c为0至5；每个R3相同或不同，选择自羟基，卤素，取代或未取代的烷氧基，取代或未取代的烷基，氨基，取代或未取代的环烷基，取代或未取代的杂环烷基，取代或未取代的芳基或硝基，其中a为2至5，b为0至3。

  公开号：

  WO2016200827A1

文献信息

• Benzylidene thiazolidinediones and their use as antimycotic agents
  申请人：Oxford GlycoSciences (UK) Ltd

  公开号：US20040006112A1

  公开（公告）日：2004-01-08

  A compound of formula I or a salt thereof wherein, A is O or S, X and Y independently represent O, CH 2 and may be the same or different, Q is (CH 2 ) m —CH(R1)—(CH 2 ) n , R is OR6, NHR8, R1 is hydrogen, or optionally substituted alkyl, R2 and R3 are independently hydrogen, or specific substituents, provided that R2 and R3 are not both H, and R4 and R5 are hydrogen or specific substituents, m is 0-3; n is 0-2; are useful in the treatment of fungal infections.

  公式I的化合物或其盐，其中，A为O或S，X和Y分别代表O、CH2，可以相同也可以不同，Q为( )m—CH(R1)—( )n，R为OR6，NHR8，R1为氢，或者可选择地取代的烷基，R2和R3独立地为氢，或者特定的取代基，但要求R2和R3不同时为H，R4和R5为氢或者特定的取代基，m为0-3；n为0-2；在治疗真菌感染中是有用的。
• 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。
• P62-ZZ small molecule modulators
  申请人：University of Pittsburgh—Of the Commonwealth System of Higher Education

  公开号：US10759739B2

  公开（公告）日：2020-09-01

  A compound, or a pharmaceutically acceptable salt thereof, having a formula I of: wherein Ar is an arylene or heteroarylene; R1 has a structure of: wherein W is an alkanediyl, alkenediyl, a carbonyl, or a combination thereof; X is —NR5—, wherein R5 is H or an alkyl, or —O—; and Y is optionally-substituted cycloalkyl, optionally-substituted cycloalkyl-substituted alkyl, optionally-substituted heterocycloalkyl, or optionally-substituted heterocycloalkyl-substituted alkyl; each R2 is the same or different and has a structure of: wherein Z is —NR6—, wherein R6 is H or an alkyl, —O—, —S—, or —CH2—; Z1 is (—CH2—)m wherein m is 0 to 5, or an alkenediyl having 2 to 6 carbon atoms; Cy is a 3-8-membered cycloalkyl, heterocycloalkyl, aryl or heteroaryl ring; and each R4 is the same or different and is selected from hydroxy, halogen, substituted or unsubstituted alkoxy, substituted or unsubstituted alkyl, or amino; and c is 0 to 5; and each R3 is the same or different and is selected from hydroxy, halogen, substituted or unsubstituted alkoxy, substituted or unsubstituted alkyl, amino, substituted or unsubstituted cycloalkyl, substituted or unsubstituted heterocycloalkyl, substituted or unsubstituted aryl, or a nitro, wherein a is 2 to 5, and b is 0 to 3.

  一种具有式 I 的化合物或其药学上可接受的盐： 其中 Ar 为芳基烯或杂芳基烯； R1 的结构为 其中 W 是烷二基、烯二基、羰基或它们的组合； X 是-NR5-，其中 R5 是 H 或烷基，或-O-；以及 Y 是任选取代的环烷基、任选取代的环烷基取代的烷基、任选取代的杂环烷基或任选取代的杂环烷基取代的烷基； 每个 R2 相同或不同，其结构为： 其中 Z 是-NR6-，其中 R6 是 H 或烷基、-O-、-S- 或-CH2-； Z1 是 (- -)m，其中 m 为 0 至 5，或具有 2 至 6 个碳原子的烯二基； Cy 是 3-8 元环烷基、杂环烷基、芳基或杂芳基环；以及 每个 R4 相同或不同，选自羟基、卤素、取代或未取代的烷氧基、取代或未取代的烷基或氨基；且 c 为 0 至 5；且 每个 R3 相同或不同，选自羟基、卤素、取代或未取代的烷氧基、取代或未取代的烷基、氨基、取代或未取代的环烷基、取代或未取代的杂环烷基、取代或未取代的芳基或硝基、 其中 a 为 2 至 5，b 为 0 至 3。
• Evolution of a 4-Benzyloxy-benzylamino Chemotype to Provide Efficacious, Potent, and Isoform Selective PPARα Agonists as Leads for Retinal Disorders
  作者：Xiaozheng Dou、Dinesh Nath、Henry Shin、Elmar Nurmemmedov、Philip C. Bourne、Jian-Xing Ma、Adam S. Duerfeldt

  DOI：10.1021/acs.jmedchem.9b01189

  日期：2020.3.26

  Peroxisome proliferator-activated receptor alpha (PPAR alpha) is expressed in retinal Muller cells, endothelial cells, and in retinal pigment epithelium; agonism of PPAR alpha with genetic or pharmacological tools ameliorates inflammation, vascular leakage, neurodegeneration, and neovascularization associated with retinal diseases in animal models. As such, PPAR alpha is a promising drug target for diabetic retinopathy and age-related macular degeneration. Herein, we report proof-of-concept in vivo efficacy in an streptozotocin-induced vascular leakage model (rat) and preliminary pharmacokinetic assessment of a first-generation lead 4a (A91). Additionally, we present the design, synthesis, and evaluation of second-generation analogues, which led to the discovery of 4u and related compounds that reach cellular potencies <50 nM and exhibit >2,700-fold selectivity for PPAR alpha over other PPAR isoforms. These studies identify a pipeline of candidates positioned for detailed PK/PD and pre-clinical evaluation.
• Rhodanine-3-acetic acid derivatives as inhibitors of fungal protein mannosyl transferase 1 (PMT1)
  作者：Michael G Orchard、Judi C Neuss、Carl M.S Galley、Andrew Carr、David W Porter、Phillip Smith、David I.C Scopes、David Haydon、Katherine Vousden、Colin R Stubberfield、Kate Young、Martin Page

  DOI：10.1016/j.bmcl.2004.05.050

  日期：2004.8

  The first inhibitors of fungal protein: mannosyl transferase 1 (PMT1) are described. They are based upon rhodanine-3-acetic acid and several compounds have been identified, for example, 5-[[3-(1-phenylethoxy)-4-(2-phenylethoxy)phenyl]methylene]4-oxo-2-thioxo-3-thiazolidineacetic acid (5a), which inhibit Candida albicans PMT1 with IC(50)s in the range 0.2-0.5 muM. Members of the series are effective in inducing changes in morphology of C. albicans in vitro that have previously been associated with loss of the transferase activity. These compounds could serve as useful tools for studying the effects of protein O-mannosylation and its relevance in the search for novel antifungal agents. (C) 2004 Elsevier Ltd. All rights reserved.