4-(chloromethyl)-2-(3-fluorophenyl)oxazole | 303224-30-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(chloromethyl)-2-(3-fluorophenyl)oxazole
• 英文别名: 4-(Chloromethyl)-2-(3-fluorophenyl)-1,3-oxazole
• CAS: 303224-30-8
• 化学式: C₁₀H₇ClFNO
• mdl: MFCD09971344
• 分子量: 211.623
• InChiKey: AGMLELBIDWXNKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(chloromethyl)-2-(3-fluorophenyl)oxazole 在 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 2-(2-(3-fluorophenyl)oxazol-4-yl)acetonitrile
  参考文献：
  名称：

  COMPOUNDS AND METHODS for the inhibition of HDAC

  摘要：

  公开号：

  EP2533783B1
• 作为产物：
  描述：

  间氟苯甲酰氯 在 ammonium hydroxide 作用下， 以 水 、 乙酸乙酯 、 甲苯 为溶剂， 反应 0.5h， 生成 4-(chloromethyl)-2-(3-fluorophenyl)oxazole
  参考文献：
  名称：

  Agonists for the Adenosine A₁ Receptor with Tunable Residence Time. A Case for Nonribose 4-Amino-6-aryl-5-cyano-2-thiopyrimidines

  摘要：

  We report the synthesis and evaluation of previously unreported 4-amino-6-aryl-5-cyano-2-thiopyrimidines as selective human adenosine A(1) receptor (hA(1)AR) agonists with tunable binding kinetics, this without affecting their nanomolar affinity for the target receptor. They show a very diverse range of kinetic profiles (from 1 min (compound 52) to 1 h (compound 43)), and their structure-affinity relationships (SAR) and structure-kinetics relationships (SKR) were established. When put in perspective with the increasing importance of binding kinetics in drug discovery, these results bring new evidence of the consequences of affinity-only driven selection of drug candidates, that is, the potential elimination of slightly less active compounds that may display preferable binding kinetics.

  DOI：

  10.1021/jm401643m

文献信息

• SUBSTITUTED ARYLOXAZOLES AND THEIR USE
  申请人：Nell Peter

  公开号：US20110130377A1

  公开（公告）日：2011-06-02

  The present application relates to novel substituted aryloxazole derivatives, a method for the production thereof, the use thereof for the treatment and/or prophylaxis of diseases and the use thereof for the production of drugs for the treatment and/or prophylaxis of diseases, preferably for the treatment and/or prevention of cardiovascular and metabolic disorders.

  本申请涉及新型取代芳氧唑衍生物，其生产方法，用于治疗和/或预防疾病的用途，以及用于生产用于治疗和/或预防疾病的药物的用途，优选用于治疗和/或预防心血管和代谢紊乱。
• [EN] COMPOUNDS USEFUL AS INHIBITORS OF SODIUM-CALCIUM EXCHANGER (NCX)<br/>[FR] COMPOSÉS UTILES EN TANT QU'ÉCHANGEUR SODIUM-CALCIUM (NCX)
  申请人：ORION CORP

  公开号：WO2019175464A1

  公开（公告）日：2019-09-19

  The present invention related to compounds of formula (I) wherein R1, R2, ring A and ring Bare as defined in the claims. The compounds are potent inhibitors of the sodium-calcium exchanger (NCX) and are useful in the treatment or prevention of various clinical conditions in which intracellular calcium homeostasis is disturbed, including ischemic diseases and arrhythmias. In particular, the compounds of formula (I) are useful as inotropic agents in the treatment and 10 prevention of conditions in which inotropic support is required to maintain a sufficient level of blood supply, for example, in the treatment of heart failure or in the treatment of patients undergoing surgery.

  本发明涉及公式（I）的化合物，其中R1、R2、环A和环B的定义如权利要求所述。这些化合物是钠钙交换体（NCX）的有效抑制剂，可用于治疗或预防各种临床病症，其中细胞内钙平衡受到干扰，包括缺血性疾病和心律失常。特别地，公式（I）的化合物在治疗和预防需要肌力支持以维持足够血液供应水平的病症方面是有用的，例如在治疗心力衰竭或在治疗接受手术的患者方面。
• COMPOUNDS AND METHODS
  申请人：Baloglu Erkan

  公开号：US20130059883A1

  公开（公告）日：2013-03-07

  Disclosed are compounds having the formula: wherein X 1 , X 2 , X 3 , R 1 , R 2 , R 3 , R 4 , Y, A, Z, L and n are as defined herein, and methods of making and using the same.

  公开的化合物具有以下公式：其中X1，X2，X3，R1，R2，R3，R4，Y，A，Z，L和n的定义如下，以及制备和使用它们的方法。
• Compounds and methods
  申请人：Baloglu Erkan

  公开号：US08901156B2

  公开（公告）日：2014-12-02

  Disclosed are compounds having the formula: wherein X1, X2, X3, R1, R2, R3, R4, Y, A, Z, L and n are as defined herein, and methods of making and using the same.

  本文披露了具有以下式子的化合物： 其中X1、X2、X3、R1、R2、R3、R4、Y、A、Z、L和n的定义如本文所述，并且还披露了制备和使用这些化合物的方法。
• Synthesis of tetracyclic 4 <i>H</i> ‐benzo[5,6]chromeno[3,4‐ <i>d</i> ]oxazoles via palladium‐catalyzed intramolecular direct heteroarylation
  作者：Sujeet Kumar、Km Kajol、Prakash Nayak、Amit Kumar、Chintakunta Ramesh

  DOI：10.1002/asia.202201151

  日期：2023.2

  An efficient method is disclosed for the synthesis of various tetracyclic 4H-benzo[5,6]chromeno[3,4-d]oxazoles from oxazole tethered β-naphthols via intramolecular direct heteroarylation by employing a palladium catalyst. Furthermore, photophysical properties of the resulting molecules were evaluated by using UV/vis absorption and fluorescence spectroscopy.

  公开了一种使用钯催化剂通过分子内直接杂芳基化从恶唑系链β-萘酚合成各种四环 4 H-苯并[5,6]苯并[3,4- d ]恶唑的有效方法。此外，通过使用 UV/vis 吸收和荧光光谱评估所得分子的光物理性质。