2,4-Dimethyl-3-hydroxyfluorbenzol | 26829-79-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2,4-Dimethyl-3-hydroxyfluorbenzol
• 英文别名: 3-Fluoro-2,6-dimethylphenol
• CAS: 26829-79-8
• 化学式: C₈H₉FO
• mdl: MFCD22415120
• 分子量: 140.157
• InChiKey: PYGMFUJFMNEWDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,4-Dimethyl-3-hydroxyfluorbenzol 在 硝酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 3-Fluoro-2,6-dimethyl-4-nitrophenol
  参考文献：
  名称：

  [EN] THYROID HORMONE RECEPTOR AGONISTS
  [FR] AGONISTES DU RÉCEPTEUR DES HORMONES THYROÏDIENNES

  摘要：

  本文提供了新型甲状腺激素受体（TR）激动剂，例如具有公式I、II或III的激动剂。还提供了制备新型TR激动剂的方法以及利用新型TR激动剂治疗由TR激动剂调节的疾病或紊乱的方法，例如NAFLD、NASH、糖尿病、高脂血症和/或高胆固醇血症。

  公开号：

  WO2020073974A1
• 作为产物：
  描述：

  5-氟-2-甲基苯酚 在 盐酸 、 正丁基锂 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 水 、 丙酮 为溶剂， 反应 39.0h， 生成 2,4-Dimethyl-3-hydroxyfluorbenzol
  参考文献：
  名称：

  [EN] THYROID HORMONE RECEPTOR AGONISTS
  [FR] AGONISTES DU RÉCEPTEUR DES HORMONES THYROÏDIENNES

  摘要：

  本文提供了新型甲状腺激素受体（TR）激动剂，例如具有公式I、II或III的激动剂。还提供了制备新型TR激动剂的方法以及利用新型TR激动剂治疗由TR激动剂调节的疾病或紊乱的方法，例如NAFLD、NASH、糖尿病、高脂血症和/或高胆固醇血症。

  公开号：

  WO2020073974A1

文献信息

• Structure-based design and optimization of potent renin inhibitors on 5- or 7-azaindole-scaffolds
  作者：Hans Matter、Bodo Scheiper、Henning Steinhagen、Zsolt Böcskei、Valérie Fleury、Gary McCort

  DOI：10.1016/j.bmcl.2011.06.112

  日期：2011.9

  factors. Following on preceding contributions, we report herein on the optimization of two series of azaindoles to arrive at potent and non-chiral renin inhibitors. The previously discovered azaindole scaffold was further explored by structure-based drug design in combination with parallel synthesis. This results in the identification of novel 5- or 7-azaindole derivatives with remarkable potency for renin

  对天冬氨酰蛋白酶肾素的选择性抑制对于控制高血压和相关的心血管危险因素非常重要。继先前的贡献之后，我们在此报告了两个系列的氮杂吲哚的优化方法，以得出有效的和非手性的肾素抑制剂。通过基于结构的药物设计与平行合成相结合，进一步探索了先前发现的氮杂吲哚支架。这导致鉴定出具有显着的抑制肾素功效的新型5-或7-氮杂吲哚衍生物。两个系列中最好的化合物均显示IC 50值为3至8 nM。
• Cyclic azaindole-3-carboxamides, their preparation and their use as pharmaceuticals
  申请人：Steinhagen Henning

  公开号：US08580813B2

  公开（公告）日：2013-11-12

  The present invention relates to cyclic azaindole-3-carboxamides of the formula I, wherein A, R, R10, R20, R30, R40, Y1, Y2, Y3, Y4, n, p and q have the meanings indicated in the claims, which are valuable pharmaceutical active compounds. Specifically, they inhibit the enzyme renin and modulate the activity of the renin-angiotensin system, and are useful for the treatment of diseases such as hypertension, for example. The invention furthermore relates to processes for the preparation of the compounds of the formula I, their use and pharmaceutical compositions comprising them.

  本发明涉及公式I的环状氮杂吲哚-3-羧酰胺，其中A、R、R10、R20、R30、R40、Y1、Y2、Y3、Y4、n、p和q具有所述权利要求中指示的含义，这些化合物是有价值的药物活性化合物。具体而言，它们抑制酶肾素并调节肾素-血管紧张素系统的活性，可用于治疗高血压等疾病。本发明还涉及制备公式I化合物的方法，以及包含它们的药物组合物的使用。
• CYCLIC AZAINDOLE-3-CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS
  申请人：STEINHAGEN Henning

  公开号：US20110039861A1

  公开（公告）日：2011-02-17

  The present invention relates to cyclic azaindole-3-carboxamides of the formula I, wherein A, R, R 10 , R 20 , R 30 , R 40 , Y 1 , Y 2 , Y 3 , Y 4 , n, p and q have the meanings indicated in the claims, which are valuable pharmaceutical active compounds. Specifically, they inhibit the enzyme renin and modulate the activity of the renin-angiotensin system, and are useful for the treatment of diseases such as hypertension, for example. The invention furthermore relates to processes for the preparation of the compounds of the formula I, their use and pharmaceutical compositions comprising them.

  本发明涉及公式I的环状氮杂吲哚-3-羧酰胺，其中A、R、R10、R20、R30、R40、Y1、Y2、Y3、Y4、n、p和q具有所述要求中指示的含义，它们是有价值的药物活性化合物。具体来说，它们抑制酶肾素并调节肾素-血管紧张素系统的活性，可用于治疗高血压等疾病。此外，本发明还涉及制备公式I化合物的方法、它们的使用以及包含它们的药物组合物。
• METHOD FOR PRODUCING NANOPARTICLES INCLUDING METAL PARTICLES CONTAINING IRON OXIDE HAVING AT LEAST ONE HYDROPHILIC LIGAND COORDINATED THERETO
  申请人：Astellas Pharma Inc.

  公开号：EP3904294A1

  公开（公告）日：2021-11-03

  [Problem] A novel method for producing a nanoparticle having a metal particle which contains iron oxide to which one or more hydrophilic ligands are coordination bonded is provided, where the nanoparticle is useful as a contrast agent for magnetic resonance imaging. [Means for Solution] As the novel method for producing a nanoparticle having a metal particle which contains iron oxide to which one or more hydrophilic ligands are coordination bonded, by performing ligand exchange to a hydrophilic ligand from an iron oxide nanoparticle having a surface to which a hydrophobic ligand is coordination bonded in one step using a phase transfer catalyst, it is possible to expect shortening of production processs and reduction of hydrophilic ligands used. Furthermore, by producing an iron oxide nanoparticle having a surface to which a hydrophobic ligand is coordination bonded using a dropwise addition method, it is possible to avoid a rapid temperature rise and a reaction at a high temperature of 200°C or higher, which is more advantageous for industrial production.

  问题 本发明提供了一种生产纳米粒子的新方法，该纳米粒子具有含有氧化铁的金属粒子，在该金属粒子上配位结合了一个或多个亲水配体，该纳米粒子可用作磁共振成像的造影剂。 [解决方法］ 作为生产具有金属颗粒的纳米粒子的新方法，该金属颗粒含有与一个或多个亲水配体配位结合的氧化铁，通过使用相转移催化剂在一个步骤中从具有与疏水配体配位结合的表面的氧化铁纳米粒子与亲水配体进行配体交换，可望缩短生产过程并减少亲水配体的使用。 此外，通过使用滴加法生产具有疏水配体配位键表面的氧化铁纳米粒子，可以避免快速升温和在 200°C 或更高温度下进行反应，这对工业生产更为有利。
• Structure-based optimization of potent 4- and 6-azaindole-3-carboxamides as renin inhibitors
  作者：Bodo Scheiper、Hans Matter、Henning Steinhagen、Zsolt Böcskei、Valérie Fleury、Gary McCort

  DOI：10.1016/j.bmcl.2011.06.114

  日期：2011.9

  The control of hypertension and associated cardiovascular risk factors is possible by selective inhibition of the aspartyl protease renin due to its unique position in the renin-angiotensin system. Starting from a previously disclosed series of potent and nonchiral indole-3-carboxamides, we further explored this motif by structure-based drug design guided by X-ray crystallography in combination with efficient parallel synthesis. This resulted in the discovery of 4- or 6-azaindole derivatives with remarkable potency for renin inhibition. The best compound from these series showed an IC(50) value of 1.3 nM. (C) 2011 Published by Elsevier Ltd.