5-(4-methoxyphenyl)-3-(furan-2-yl)isoxazole | 562079-85-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-(4-methoxyphenyl)-3-(furan-2-yl)isoxazole
• 英文别名: 5-Furan-2-yl-3-(4-methoxy-phenyl)-isoxazole；5-(Furan-2-yl)-3-(4-methoxyphenyl)-1,2-oxazole
• CAS: 562079-85-0
• 化学式: C₁₄H₁₁NO₃
• 分子量: 241.246
• InChiKey: JJMRYOLHNZXISQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  48.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-(4-methoxyphenyl)-1-(furan-2-yl)prop-2-en-1-one 在 盐酸羟胺 、 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 4.0h， 以70%的产率得到5-(4-methoxyphenyl)-3-(furan-2-yl)isoxazole
  参考文献：
  名称：

  一些作为抗炎和抗溃疡剂的 3-苯基-5-呋喃异恶唑衍生物的合成、表征、DFT、对接研究和分子动力学

  摘要：

  大量包含氧原子的氮杂环衍生物被认为是治疗化学中有价值的治疗剂组合。特别是，异恶唑是一种五元杂环，与一些市售药物如达那唑、氟氯西林、双氯西林、氯唑西林和伐地昔布一起被检测到，这些药物被称为抗炎药。异恶唑环的掺入可以提供增强的物理化学性质，以显示广泛的目标和多样化的生物应用。从这个角度来看，从不同的取代苯甲醛 1(ah) 和 2-乙酰基呋喃 (2) 开始，以良好的收率合成了标题化合物 5(ah)，得到了查耳酮衍生物 3(ah)。此外，化合物3(ah)与盐酸羟胺回流，得到标题化合物5(ah)。1 H NMR、13 CNMR和LC-MS)，最后，针对COX-1、COX-2、LOX以及抗溃疡作用筛选标题化合物5(ah)。体外研究表明，化合物 (5f) 是有效的，IC 50值为 9.16±0.38 μM (COX-2)、8.15±0.16 μM (15-LOX) 和 42.41±0.29 μg mL -1（抗溃疡）对

  DOI：

  10.1016/j.molstruc.2021.131812

文献信息

• Phosphate transport inhibitors
  申请人：GelTex Pharmaceuticals, Inc.

  公开号：US20040019113A1

  公开（公告）日：2004-01-29

  Disclosed are compounds which have been identified as inhibitors of phosphate transport. Many of the compounds are represented by Structural Formula (I): Ar 1 —W—X—Y—Ar 2 ; or a pharmaceutically acceptable salt thereof. Ar 1 and Ar 2 are independently a substituted or unsubstituted aryl group or an optionally substituted five membered or six membered non-aromatic heterocylic group fused to an optionally substituted monocylic aryl group. W and Y are independently a covalent bond or a C1-C3 substituted or unsubstituted alkylene group. X is a heteroatom-containing functional group, an aromatic heterocyclic group, substituted aromatic heterocyclic group, non-aromatic heterocyclic group, substituted non-aromatic heterocyclic group, an olefin group or a substituted olefin group. Also disclosed are methods of treating a subject with a disease associated with hyperphosphatemia, as well as a disease mediated by phosphate-transport function. The methods comprise the step of administering an effective amount of the one of the compounds described above.

  本文披露了被识别为磷酸盐转运抑制剂的化合物。许多化合物由结构式(I)表示：Ar1—W—X—Y—Ar2；或其药用可接受的盐。Ar1和Ar2独立地是取代或未取代的芳基或可取代的五元或六元非芳香杂环基与可取代的单环芳基融合。W和Y独立地是共价键或C1-C3取代或未取代的烷基基团。X是含杂原子的官能团、芳香杂环基、取代芳香杂环基、非芳香杂环基、取代非芳香杂环基、烯烃基或取代烯烃基。还披露了治疗与高磷血症相关疾病以及磷酸盐转运功能介导的疾病的方法。该方法包括给予上述化合物之一的有效量。
• PHOSPHATE TRANSPORT INHIBITORS
  申请人：GENZYME CORPORATION

  公开号：EP1465638A2

  公开（公告）日：2004-10-13
• US7119120B2
  申请人：——

  公开号：US7119120B2

  公开（公告）日：2006-10-10
• [EN] PHOSPHATE TRANSPORT INHIBITORS<br/>[FR] INHIBITEURS DE TRANSPORT DU PHOSPHATE
  申请人：GENZYME CORP

  公开号：WO2003057225A2

  公开（公告）日：2003-07-17

  Disclosed are compounds, which have been identified as inhibitors of phosphate transport. Many of the compounds are represented by Structural Formula (I): Ar1-W-X-Y-Ar2; or a pharmaceutically acceptable salt thereof. Ar1 and Ar2 are independently a substituted or unsubstituted aryl group or an optionally substituted five membered or six membered non-aromatic heterocylic group fused to an optionally substituted monocylic aryl group. W and Y are independently a covalent bond or a C 1-C3 substituted or unsubstituted alkylene group. X is a heteroatom-containing functional group, an aromatic heterocyclic group, substituted aromatic heterocyclic group, non-aromatic heterocyclic group, substituted non-aromatic heterocyclic group, an olefin group or a substituted olefin group. Also disclosed are methods of treating a subject with a disease associated with hyperphosphatemia, as well as a disease mediated by phosphate-transport function. The methods comprise the step of administering an effective amount of the one of the compounds described above.
• Synthesis, characterization, DFT, docking studies and molecular dynamics of some 3-phenyl-5-furan isoxazole derivatives as anti-inflammatory and anti-ulcer agents
  作者：Pallavi H M、Fares Hezam Al-Ostoot、Hamse Kameshwar Vivek、Shaukath Ara Khanum

  DOI：10.1016/j.molstruc.2021.131812

  日期：2022.2

  heterocyclic derivatives comprising oxygen atom is considered as a valuable combination of therapeutic agents in curative chemistry. In particular, isoxazole, a five-member heterocyclic ring, is detected along with some of the marketed drugs such as danazol, flucloxacillin, dicloxacillin, cloxacillin, and valdecoxib which are known as an anti-inflammatory drug. The incorporation of the isoxazole ring can

  大量包含氧原子的氮杂环衍生物被认为是治疗化学中有价值的治疗剂组合。特别是，异恶唑是一种五元杂环，与一些市售药物如达那唑、氟氯西林、双氯西林、氯唑西林和伐地昔布一起被检测到，这些药物被称为抗炎药。异恶唑环的掺入可以提供增强的物理化学性质，以显示广泛的目标和多样化的生物应用。从这个角度来看，从不同的取代苯甲醛 1(ah) 和 2-乙酰基呋喃 (2) 开始，以良好的收率合成了标题化合物 5(ah)，得到了查耳酮衍生物 3(ah)。此外，化合物3(ah)与盐酸羟胺回流，得到标题化合物5(ah)。1 H NMR、13 CNMR和LC-MS)，最后，针对COX-1、COX-2、LOX以及抗溃疡作用筛选标题化合物5(ah)。体外研究表明，化合物 (5f) 是有效的，IC 50值为 9.16±0.38 μM (COX-2)、8.15±0.16 μM (15-LOX) 和 42.41±0.29 μg mL -1（抗溃疡）对