2,6-二氟-4-乙氧基苯甲醛 | 1017779-48-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2,6-二氟-4-乙氧基苯甲醛
• 英文名称: 4-ethoxy-2,6-difluorobenzaldehyde
• CAS: 1017779-48-4
• 化学式: C₉H₈F₂O₂
• mdl: MFCD09258695
• 分子量: 186.158
• InChiKey: SHCJRMIWXNHWJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,6-二氟-4-乙氧基苯甲醛 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 (4-乙氧基-2,6-二氟苯基)甲醇
  参考文献：
  名称：

  Optimization of benzyloxazoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase to enhance Y181C potency

  摘要：

  Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved activity towards Tyr181Cys containing variants was pursued with the assistance of free energy perturbation (FEP) calculations. Optimization of the 4-R substituent in 1 led to ethyl and isopropyl analogs le and if with 1-7 nM potency towards both the wild-type virus and a Tyr181C variant. (C) 2012 Elsevier.Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.11.115

文献信息

• [EN] 1-ALKYL-PYRAZOLES AND -INDAZOLES AS BUB1 INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES<br/>[FR] 1-ALKYL-PYRAZOLES ET 1-ALKYL-INDAZOLES UTILISÉS EN TANT QU'INHIBITEURS DE BUB1 POUR LE TRAITEMENT DE MALADIES HYPERPROLIFÉRATIVES
  申请人：BAYER PHARMA AG

  公开号：WO2017157991A1

  公开（公告）日：2017-09-21

  Compounds of formula (I) and their use as pharmaceuticals.

  化合物的化学式（I）及其作为药物的用途。
• Enantioselective Synthesis of Five-Membered-Ring Atropisomers with a Chiral Rh(III) Complex
  作者：Saad Shaaban、Houhua Li、Felix Otte、Carsten Strohmann、Andrey P. Antonchick、Herbert Waldmann

  DOI：10.1021/acs.orglett.0c03355

  日期：2020.12.4

  chemistry, and efficient methods for their synthesis are in high demand. This applies in particular to atropisomers derived from five-membered aromatic rings because their lower barrier for rotation among the biaryl axis limits their asymmetric synthesis. We report here an enantioselective C–H functionalization method using our chiral RhJasCp complex for the synthesis of the biaryl atropisomer types that

  轴向手性阻转异构化合物广泛用于不对称催化和药物化学中，对合成的有效方法有很高的要求。这尤其适用于衍生自五元芳族环的阻转异构体，因为它们在联芳基轴之间旋转的较低阻挡层限制了它们的不对称合成。我们在这里报告了一种手性Rh Jas Cp络合物的对映选择性CH功能化方法，用于合成可从三个不同的五元环杂环中获得的联芳基阻转异构体类型。
• COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR
  申请人：Wu Guoxian

  公开号：US20080188514A1

  公开（公告）日：2008-08-07

  Compounds active on protein kinases are described, as well as methods of using such compounds to treat diseases and conditions associated with aberrant activity of protein kinases.

  本文描述了对蛋白激酶活性有作用的化合物，以及使用这些化合物治疗与蛋白激酶异常活性相关的疾病和病状的方法。
• Discovery of BMS-986235/LAR-1219: A Potent Formyl Peptide Receptor 2 (FPR2) Selective Agonist for the Prevention of Heart Failure
  作者：Yoshikazu Asahina、Nicholas R. Wurtz、Kazuto Arakawa、Nancy Carson、Kiyoshi Fujii、Kazunori Fukuchi、Ricardo Garcia、Mei-Yin Hsu、Junichi Ishiyama、Bruce Ito、Ellen Kick、John Lupisella、Shingo Matsushima、Kohei Ohata、Jacek Ostrowski、Yoshifumi Saito、Kosuke Tsuda、Francisco Villarreal、Hitomi Yamada、Toshikazu Yamaoka、Ruth Wexler、David Gordon、Yasushi Kohno

  DOI：10.1021/acs.jmedchem.9b02101

  日期：2020.9.10

  Formyl peptide receptor 2 (FPR2) agonists can stimulate resolution of inflammation and may have utility for treatment of diseases caused by chronic inflammation, including heart failure. We report the discovery of a potent and selective FPR2 agonist and its evaluation in a mouse heart failure model. A simple linear urea with moderate agonist activity served as the starting point for optimization. Introduction of a pyrrolidinone core accessed a rigid conformation that produced potent FPR2 and FPR1 agonists. Optimization of lactam substituents led to the discovery of the FPR2 selective agonist 13c, BMS-986235/LAR-1219. In cellular assays 13c inhibited neutrophil chemotaxis and stimulated macrophage phagocytosis, key end points to promote resolution of inflammation. Cardiac structure and functional improvements were observed in a mouse heart failure model following treatment with BMS-986235/LAR-1219.
• US5817819A
  申请人：——

  公开号：US5817819A

  公开（公告）日：1998-10-06