4-(4-氯苯氧基)苯甲醇 | 93497-08-6

• 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-(4-氯苯氧基)苯甲醇
• 英文名称: (4-(4-chlorophenoxy)phenyl)methanol
• 英文别名: [4-(4-chlorophenoxy)phenyl]methanol
• CAS: 93497-08-6
• 化学式: C₁₃H₁₁ClO₂
• mdl: MFCD11190406
• 分子量: 234.682
• InChiKey: KJGZOJJWQRGHCL-UHFFFAOYSA-N

物化性质

• 熔点：
  81-83 °C
• 沸点：
  362.2±27.0 °C(Predicted)
• 密度：
  1.263±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 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：

  4-(4-氯苯氧基)苯甲醇 在 三溴化磷 作用下， 以 二氯甲烷 为溶剂， 反应 12.5h， 以41%的产率得到1-(bromomethyl)-4-(4-chlorophenoxy)benzene
  参考文献：
  名称：

  Design, synthesis, and evaluation of compounds capable of reducing Pseudomonas aeruginosa virulence

  摘要：

  Anti-virulence approaches in the treatment of Pseudomonas aeruginosa (PA)-induced infections have shown clinical potential in multiple in vitro and in vivo studies. However, development of these compounds is limited by several factors, including the lack of molecules capable of penetrating the membrane of gram-negative organisms. Here, we report the identification of novel structurally diverse compounds that inhibit PqsR and LasR-based signaling and diminish virulence factor production and biofilm growth in two clinically relevant strains of P. aeruginosa. It is the first report where potential antivirulent agents were evaluated for inhibition of several virulence factors of PA. Finally, co-treatment with these inhibitors significantly reduced the production of virulence factors induced by the presence of subinhibitory levels of ciprofioxacin. Further, we have analyzed the drug-likeness profile of designed compounds using quantitative estimates of drug-likeness (QED) and confirmed their potential as hit molecules for further development. Published by Elsevier Masson SAS.

  DOI：

  10.1016/j.ejmech.2019.111800
• 作为产物：
  描述：

  4-(4-氯苯氧基)苯甲酸 在 dimethyl sulfide borane 、 硫酸 作用下， 以 四氢呋喃 为溶剂， 反应 0.0h， 生成 4-(4-氯苯氧基)苯甲醇
  参考文献：
  名称：

  Haydock; Mulholland; Telford, European Journal of Medicinal Chemistry, 1984, vol. 19, # 3, p. 205 - 214

  摘要：

  DOI：

文献信息

• Copper promoted synthesis of diaryl ethers
  作者：Rajshekhar Ghosh、Ashoka G. Samuelson

  DOI：10.1039/b401179a

  日期：——

  An efficient protocol using copper based reagents for the coupling of aryl halides with phenols to generate diaryl ethers is described. A copper(I) complex, [Cu(CH3CN)4]ClO4, or the readily available copper(II) source, CuCO3·Cu(OH)2·H2O (in combination with potassium phosphate), can be used. Aryl halides and phenols with different steric and electronic demands have been used to assess the efficiency of the procedure. The latter source of copper gives better yields under all conditions.

  文中描述了一种利用基于铜的试剂实现芳基卤与酚偶联生成二芳基醚的高效协议。可以使用铜(I)配合物，例如[Cu(CH3CN)4]ClO4，或者易于获得的铜(II)源，即铜碳酸盐·氢氧化铜·水（结合磷酸钾）。根据不同的立体和电子需求，使用不同类型的芳基卤和酚来评估该过程的效率。在所有条件下，后一种铜源能够提供更好的产率。
• Design, synthesis and structure-activity relationship study of novel urea compounds as FGFR1 inhibitors to treat metastatic triple-negative breast cancer
  作者：Md Ashraf-Uz-Zaman、Sadisna Shahi、Racheal Akwii、Md Sanaullah Sajib、Mohammad Jodeiri Farshbaf、Raja Reddy Kallem、William Putnam、Wei Wang、Ruiwen Zhang、Karina Alvina、Paul C. Trippier、Constantinos M. Mikelis、Nadezhda A. German

  DOI：10.1016/j.ejmech.2020.112866

  日期：2021.1

  Triple-negative breast cancer (TNBC) is an aggressive type of cancer characterized by higher metastatic and reoccurrence rates, where approximately one-third of TNBC patients suffer from the metastasis in the brain. At the same time, TNBC shows good responses to chemotherapy, a feature that fuels the search for novel compounds with therapeutic potential in this area. Recently, we have identified novel

  三阴性乳腺癌 (TNBC) 是一种侵袭性癌症，其特点是转移率和复发率较高，其中大约三分之一的 TNBC 患者患有脑转移。与此同时，TNBC 对化疗表现出良好的反应，这一特征推动了在该领域寻找具有治疗潜力的新型化合物。最近，我们已经鉴定出对选定细胞系具有细胞毒性并能够在体内穿过血脑屏障的新型尿素基化合物. 我们合成并分析了一个包含 40 多种化合物的库，以阐明导致所观察到的活性的关键特征。我们还将 FGFR1 确定为受这些化合物存在影响的分子靶标，使用计算机模型证实了我们的数据。总的来说，我们设想这些化合物可以进一步开发用于潜在的转移性乳腺癌治疗。
• Thio-substituted arylmethanesulfinyl derivatives
  申请人：CEPHALON, INC.

  公开号：EP1586560A1

  公开（公告）日：2005-10-19

  FIELD OF THE INVENTION The present invention is related to chemical compositions, processes for the preparation thereof and uses of the composition. Particularly, the present invention relates to compositions of compounds of Formula (A): wherein Ar, X, Y, R1, R2, R3, and q are as defined herein; and their use in the treatment of diseases, including treatment of sleepiness, promotion of wakefulness, treatment of Parkinson's disease, cerebral ischemia, stroke, sleep apneas, eating disorders, stimulation of appetite and weight gain, treatment of attention deficit hyperactivity disorder ("ADHD"), enhancing function in disorders associated with hypofunctionality of the cerebral cortex, including, but not limited to, depression, schizophrenia, fatigue, in particular, fatigue associated with neurologic disease, such as multiple sclerosis, chronic fatigue syndrome, and improvement of cognitive dysfunction.

  本发明涉及化学组合物、其制备方法和组合物的用途。特别地，本发明涉及化合物的组合物，其化学式为（A）：其中Ar、X、Y、R1、R2、R3和q如本文所定义；以及它们在治疗疾病中的应用，包括治疗嗜睡症、促进清醒、治疗帕金森病、脑缺血、中风、睡眠呼吸暂停、进食障碍、促进食欲和体重增加、治疗注意力缺陷多动障碍（ADHD）、增强与大脑皮层低功能相关的疾病的功能，包括但不限于抑郁症、精神分裂症、疲劳，尤其是与神经疾病相关的疲劳，如多发性硬化症、慢性疲劳综合征，以及改善认知功能障碍。
• Derivatives of 1H-imidazole-4,5-dicarboxamide and Use Thereof in Preparation of Anticoccidial Drugs
  申请人：GUANGZHOU INSIGHTER BIOTECHNOLOGY CO.,LTD.

  公开号：US20180370921A1

  公开（公告）日：2018-12-27

  Disclosed are derivatives of 1H-imidazole-4,5-dicarboxamide and use thereof in preparation of anticoccidial drugs. The derivatives have structural formulae as shown in formulae (I) to (VI). The derivatives of 1H-imidazole-4,5-dicarboxamide as disclosed in the present invention have significant anticoccidial effect, especially against coccidia that show a resistance to other anticoccidial drugs, and thus they can be used in preparation of anticoccidial drug.

  本发明揭示了1H-咪唑-4,5-二甲酰胺的衍生物及其在制备抗球虫药物中的应用。所述衍生物的结构式如式(I)至(VI)所示。本发明揭示的1H-咪唑-4,5-二甲酰胺衍生物具有显著的抗球虫作用，特别对那些对其他抗球虫药物表现出抗性的球虫具有作用，因此它们可以用于制备抗球虫药物。
• 一种含氟喹啉酯类化合物及其制备方法和应用
  申请人：浙江工业大学

  公开号：CN112608277B

  公开（公告）日：2022-08-05

  本发明公开了一种含氟喹啉酯类化合物，及其制备方法和应用，所述含氟喹啉酯类化合物的结构通式如式(I)所示：式(I)中，苯环上的H被取代基R单取代或多取代；n为1～3的整数，n表示苯环上取代基R的个数；n＝1时，表示苯环上的H被取代基R单取代；n＝2～3时，表示苯环上的H被取代基R多取代，不同取代位置上的取代基R相同或不同；取代基R选自氢、卤素、C1‑C20烷基、C1‑C20烷氧基、卤代C1‑C20烷基、卤代C1‑C20烷氧基；X选自氧或硫。本申请公开了一类未见文献报导的含氟喹啉酯类化合物，其具有较好的酯溶性，化合物结构新颖，其在较低的浓度下也能够保持较高的杀菌活性，特别是对小麦全蚀病、小麦赤霉病、小麦纹枯病、水稻稻瘟病等具有较好的抑制效果。