4-(4-甲基-1H-咪唑)苯酚 | 81376-53-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4-(4-甲基-1H-咪唑)苯酚
• 英文名称: 1-(4-hydroxyphenyl)-4-methylimidazole
• 英文别名: 4-(4-methyl-1H-imidazol-1-yl)phenole；4-(4-Methyl-1H-imidazol-1-YL)phenol；4-(4-methylimidazol-1-yl)phenol
• CAS: 81376-53-6
• 化学式: C₁₀H₁₀N₂O
• mdl: MFCD09038091
• 分子量: 174.202
• InChiKey: HXTJXXYPMRYMNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  38
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(4-甲基-1H-咪唑)苯酚 在 甲醇 、 lithium hydroxide monohydrate 、 水 、 potassium carbonate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 42.0h， 生成 4-((2S,4S)-2-((difluoromethoxy)methyl)-4-(4-(4-methyl-1H-imidazol-1-yl)phenoxy)pyrrolidine-1-yl)benzoic acid
  参考文献：
  名称：

  RORγt抑制剂及其制备方法和用途

  摘要：

  本发明涉及药物技术领域，具体涉及RORγt抑制剂及其制备方法和用途。本发明还涉及包含所述化合物的药物组合物，制备该药物组合物的方法，以及所述化合物或药物组合物在治疗或预防哺乳动物，特别是人类的由RORγt介导的癌症、炎症或自身免疫疾病的用途。

  公开号：

  CN113072542A
• 作为产物：
  描述：

  2,4,6-tritert-butyl-4-(4-methylimidazol-1-yl)cyclohexa-2,5-dien-1-one 在 磷酸 作用下， 反应 4.0h， 以99%的产率得到4-(4-甲基-1H-咪唑)苯酚
  参考文献：
  名称：

  Selective Preparations; 36¹. A Convenient Preparation of 2- and 4-(1-Imidazolyl)-phenols and their Benzo Analogs using thet-Butyl Group as a Positional Protective Group

  摘要：

  DOI：

  10.1055/s-1982-29753

文献信息

• SULFONAMIDE DERIVATIVE AND USE THEREOF
  申请人：Fukumoto Shoji

  公开号：US20140024650A1

  公开（公告）日：2014-01-23

  Provided is a compound having an AMPA receptor function enhancing action, and useful as a prophylactic or therapeutic drug for depression, Alzheimer's disease, schizophrenia, attention deficit hyperactivity disorder (ADHD) and the like. A compound represented by the formula (I): wherein each symbol is as defined in the present specification, or a salt thereof.

  提供了一种具有AMPA受体功能增强作用的化合物，可用作预防或治疗抑郁症、阿尔茨海默病、精神分裂症、注意力缺陷多动障碍（ADHD）等药物。该化合物由式（I）表示：其中每个符号如本说明书所定义，或其盐。
• [EN] RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF<br/>[FR] INHIBITEUR DE RORγT, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION<br/>[ZH] RORγt抑制剂及其制备方法和用途
  申请人：DONGGUAN HEC NEW DRUG R&D CO LTD

  公开号：WO2021139595A1

  公开（公告）日：2021-07-15

  涉及药物技术领域，具体涉及RORγt抑制剂及其制备方法和用途。还涉及包含所述化合物的药物组合物，制备该药物组合物的方法，以及所述化合物或药物组合物在治疗或预防哺乳动物，特别是人类的由RORγt介导的癌症、炎症或自身免疫疾病的用途。
• Pyrazole and Isoxazole Derivatives as New, Potent, and Selective 20-Hydroxy-5,8,11,14-eicosatetraenoic Acid Synthase Inhibitors
  作者：Toshio Nakamura、Masakazu Sato、Hiroyuki Kakinuma、Noriyuki Miyata、Kazuo Taniguchi、Kagumi Bando、Ayumi Koda、Kazuya Kameo

  DOI：10.1021/jm020557k

  日期：2003.12.1

  In a previous paper, we reported the N-hydroxyformamidine derivative HET0016 as a potent and selective 20-HETE synthase inhibitor. Despite its attraction as a potential therapeutic agent for cerebral diseases, the preparation of an injectable formulation of HET0016 was limited by its poor solubility under neutral conditions and instability under acidic conditions. The instability of HET0016 in acidic conditions is due to the N-hydroxyformamidine moiety, which is considered to be essential for the potent and selective activity seen in our previous study. The activity was maintained when the N-hydroxyformamidine moiety was replaced by an imidazole ring (3a; IC50 = 5.7 +/- 1.0 nM), but this was associated with a loss of selectivity for cytochrome P450s (CYPs). However, other azole derivatives such as isoxazole derivative 23 (IC50 value 38 +/- 10 nM) and pyrazole derivative 24 (IC50 value 23 +/- 12 nM) showed potent and selective activities with improved stability.
• [EN] SULFONAMIDE DERIVATIVE AND USE THEREOF<br/>[FR] DÉRIVÉ DE SULFONAMIDE ET SON UTILISATION
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2012137982A9

  公开（公告）日：2013-02-14
• Modification of a promiscuous inhibitor shifts the inhibition from γ-secretase to FLT-3
  作者：Ghislaine Marlyse Okala Amombo、Thomas Kramer、Fabio Lo Monte、Stefan Göring、Matthias Fach、Steven Smith、Stephanie Kolb、Robert Schubenel、Karlheinz Baumann、Boris Schmidt

  DOI：10.1016/j.bmcl.2012.10.016

  日期：2012.12

  The inhibition of FLT-3 activity is an interesting target for the treatment of acute myeloid leukemia (AML). The serendipitous identification of FLT-3 inhibitors from a CK1/gamma-secretase programme provided compounds with dual inhibitory activity. We analyzed the structure-activity relationship of these inhibitors and derivatized them to arrive at compounds with reduced impact on gamma-secretase activity and enhanced FLT-3 inhibition. (C) 2012 Elsevier Ltd. All rights reserved.