(4-氯苯基)-(3-羟基苯基)甲酮 | 62810-39-3

• 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: (4-氯苯基)-(3-羟基苯基)甲酮
• 英文名称: (4-chlorophenyl)(3-hydroxyphenyl)methanone
• 英文别名: 3-(4-chlorobenzoyl)phenol；4'-chloro-3-hydroxy-benzophenone；4'-Chlor-3-hydroxy-benzophenon；(4-chlorophenyl)-(3-hydroxyphenyl)methanone
• CAS: 62810-39-3
• 化学式: C₁₃H₉ClO₂
• 分子量: 232.666
• InChiKey: WBQUCIOFUOIVNX-UHFFFAOYSA-N

物化性质

• 熔点：
  154–155°C
• 沸点：
  410.3±30.0 °C(Predicted)
• 密度：
  1.307±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4-氯苯基)-(3-羟基苯基)甲酮 反应 2.0h， 生成
  参考文献：
  名称：

  Thiele; Ahmed; Jahn, Arzneimittel-Forschung/Drug Research, 1979, vol. 29, # 5, p. 711 - 720

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氯-N-甲氧基-N-甲基乙酰胺 在 氢溴酸 、 异丙基氯化镁 作用下， 以 四氢呋喃 、 水 、 溶剂黄146 为溶剂， 反应 42.0h， 生成 (4-氯苯基)-(3-羟基苯基)甲酮
  参考文献：
  名称：

  SAR study of piperidine derivatives as inhibitors of 1,4-dihydroxy-2-naphthoate isoprenyltransferase (MenA) from Mycobacterium tuberculosis

  摘要：

  DOI：

  10.1016/j.ejmech.2023.115125

文献信息

• Structure–Activity and Structure–Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein–Protein Interaction
  作者：Tom D. Heightman、James F. Callahan、Elisabetta Chiarparin、Joseph E. Coyle、Charlotte Griffiths-Jones、Ami S. Lakdawala、Rachel McMenamin、Paul N. Mortenson、David Norton、Torren M. Peakman、Sharna J. Rich、Caroline Richardson、William L. Rumsey、Yolanda Sanchez、Gordon Saxty、Henriëtte M. G. Willems、Lawrence Wolfe、Alison J.-A. Woolford、Zining Wu、Hongxing Yan、Jeffrey K. Kerns、Thomas G. Davies

  DOI：10.1021/acs.jmedchem.9b00279

  日期：2019.5.9

  with directly disrupting the interaction of NRF2 with the KEAP1 Kelch domain. We now present a detailed account of the medicinal chemistry campaign leading to this molecule, which included exploration and optimization of protein-ligand interactions in three energetic "hot spots" identified by fragment screening. In particular, we also discuss how consideration of ligand conformational stabilization

  KEAP1-NRF2介导的细胞保护反应在细胞稳态中起关键作用。慢性氧化应激期间NRF2信号不足可能与几种具有炎性成分的疾病的病理生理有关，并且通过直接调节KEAP1-NRF2蛋白质-蛋白质相互作用的途径激活正在越来越多地被探索为一种潜在的治疗策略。尽管如此，KEAP1-NRF2界面的物理化学性质表明，要实现对细胞渗透性药物样抑制剂的高亲和力可能是具有挑战性的。我们最近报道了发现一种高效工具化合物的发现，该化合物用于探测与直接破坏NRF2与KEAP1 Kelch域的相互作用有关的生物学。我们现在介绍导致该分子发生的药物化学运动的详细情况，包括探索和优化通过片段筛选确定的三个高能“热点”中蛋白质-配体的相互作用。特别地，我们还讨论了配体构象稳定化的考虑如何对其发展很重要，并为前导化合物的预组织提供了证据，这可能有助于其高亲和力和细胞活性。
• Cyclic poly(aryl ether) oligomers, a process for preparation thereof, and polymerization of cyclic poly (aryl ether) oligomers
  申请人：THE DOW CHEMICAL COMPANY

  公开号：EP0413257A2

  公开（公告）日：1991-02-20

  The present invention is directed to cyclic poly(aryl ether) oligomers and mixtures thereof, and methods for the preparation thereof in a highly dilute reaction medium under reaction conditions favorable for ring closure at low degrees of polymerization. These oligomers are represented by the general formula where each Y is divalent oxygen or divalent sulfur, each Ar is an aromatic diradical which comprises one or more C₆ to C₂₀ arylene groups and has at least one electron withdrawing group attached to an aromatic ring, and n is an integer from 1 to 20 with the proviso that for integer values of n equal to 1 or 2 all linkages between independent aromatic rings comprise at least one atom. The present invention includes a process for the preparation of poly(aryl ethers) from cyclic poly(aryl ether) oligomers. These low melt viscosity cyclic oligomers undergo ring opening and chain extension upon heating in the presence of a catalyst, forming high molecular weight linear polymers with no coproduct formation. Finished thermoplastic parts and composites may be prepared using this technology with processing techniques normally restricted to thermosetting monomers.

  本发明涉及环状聚芳基醚低聚物及其混合物，以及在高度稀释的反应介质中，在有利于低聚合度下闭环的反应条件下制备它们的方法。这些低聚物通式如下 其中，每个 Y 是二价氧或二价硫，每个 Ar 是芳香族二元环，包括一个或多个 C₆ 至 C₂₀ 芳烯基团，并至少有一个取电子基团连接到芳香环上，n 是 1 至 20 的整数，但 n 的整数值等于 1 或 2 时，独立芳香环之间的所有连接至少包括一个原子。 本发明包括一种从环状聚芳基醚低聚物制备聚芳基醚的工艺。这些低熔融粘度的环状低聚物在催化剂存在下加热时会发生开环和链延伸，形成高分子量的线性聚合物，且不会产生副产品。使用这种技术可以制备热塑性塑料零件和复合材料成品，其加工技术通常仅限于热固性单体。
• New Azolidinediones as Inhibitors of Protein Tyrosine Phosphatase 1B with Antihyperglycemic Properties
  作者：Michael S. Malamas、Janet Sredy、Iwan Gunawan、Brenda Mihan、Diane R. Sawicki、Laura Seestaller、Donald Sullivan、Brenda R. Flam

  DOI：10.1021/jm990476x

  日期：2000.3.1

  Insulin resistance in the liver and peripheral tissues together with a pancreatic cell defect are the common causes of type 2 diabetes. It is now appreciated that insulin resistance can result from a defect in the insulin receptor signaling system, at a site post binding of insulin to its receptor. Protein tyrosine phosphatases (PTPases) have been shown to be negative regulators of the insulin receptor. Inhibiton of PTPase may be an effective method in the treatment of type 2 diabetes. A series of azolidinediones has been prepared as protein tyrosine phosphatase 1B (PTP1B) inhibitors. Several compounds were potent inhibitors against the recombinant rat and human PTP1B enzymes with submicromolar IC50 values. Elongated spacers between the azolidinedione moiety and the central aromatic portion of the molecule as well as hydrophobic groups at the vicinity of this aromatic region were very important to the inhibitory activity. Oxadiazolidinediones 87 and 88 and the corresponding acetic acid analogues 119 and 120 were the best h-PTP1B inhibitors with IC50 values in the range of 0.12-0.3 mu M. Several compounds normalized plasma glucose and insulin levels in the ob/ob and db/db diabetic mouse models.
• Glycosylated derivatives of benzophenone, benzhydrol and benzhydril as potential venous antithrombotic agents
  作者：Francois Bellamy、Derek Horton、Jean Millet、Francois Picart、Soth Samreth、Jean Bernard Chazan

  DOI：10.1021/jm00059a015

  日期：1993.4

  A series of glycosylated derivatives of benzophenone, benzhydrol, and benzhydril has been synthesized and evaluated for potential activity as venous antithrombotic agents. Studies on structure-activity relationships revealed that compounds having an electron-withdrawing group in the benzhydril or benzhydrol moiety, and specifically those having the beta-D-xylopyranosyl structure in the sugar moiety, were good antithrombotic agents in a rat model of venous thrombosis.
• 2. New potential chemotherapeutic agents. Part III. Derivatives of diphenylamine and of αα-diphenylmethylamine
  作者：F. E. King、T. J. King、I. H. M. Muir

  DOI：10.1039/jr9460000005

  日期：——