3-Fluoro-4-hydroxy-5-methylbenzaldehyde | 127036-07-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-Fluoro-4-hydroxy-5-methylbenzaldehyde
• CAS: 127036-07-1
• 化学式: C₈H₇FO₂
• 分子量: 154.141
• InChiKey: POYIEMITXPSBAB-UHFFFAOYSA-N

物化性质

• 沸点：
  237.6±35.0 °C(Predicted)
• 密度：
  1.284±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-噻吩乙酸 、 3-Fluoro-4-hydroxy-5-methylbenzaldehyde 在 哌啶 作用下， 以 二氯甲烷 为溶剂， 反应 7.0h， 生成 2-fluoro-6-methyl-4-[(E)-2-thiophen-2-ylethenyl]phenol
  参考文献：
  名称：

  Effect of structure on potency and selectivity in 2,6-disubstituted-4-(2-arylethenyl)phenol lipoxygenase inhibitors

  摘要：

  A series of 2,6-disubstituted 4-(2-arylethenyl)phenols with potent human neutrophil 5-lipoxygenase (5-LO) inhibiting activity (IC50S in the 10(-7) M range) and weaker human platelet cyclooxygenase (CO) inhibiting activity (IC50S in the 10(-6) M range) is described. This series evolved from the chemical modification of an antiinflammatory dual CO/5-LO inhibitor, 2,6-di-tert-butyl-4-[2-(3-pyridyl)ethenyl]phenol (BI-L-93 BS). The potency and selectivity for 5-LO inhibition is greatly influenced by the nature of the substituents in the 2- and 6-positions. Other structure-activity relationships that determine relative 5-LO and CO potency are discussed. In vivo activity against antigen-induced leukotriene-mediated bronchoconstriction and cell influx in guinea pigs is presented. Representatives of the series are active when administered at 30 mg/kg ip.

  DOI：

  10.1021/jm00169a010

文献信息

• SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES
  申请人：Snow Alan

  公开号：US20110104055A1

  公开（公告）日：2011-05-05

  Compounds and their pharmaceutically acceptable salts, their synthesis and labeling, pharmaceutical compositions containing them, and their use in the treatment of amyloid diseases, including Aβ amyloidosis, such as observed in Alzheimer's disease, IAPP amyloidosis, such as observed in type 2 diabetes, and synucleinopathies, such as observed in Parkinson's disease, and the manufacture of medicaments for such treatment are provided. Also provided is the use of the disclosed compounds as imaging agents and methods for in vivo imaging and detection of amyloid and synuclein.

  本发明提供了化合物及其药学上可接受的盐、它们的合成和标记、含有它们的制药组合物以及它们在治疗淀粉样疾病中的应用，包括Aβ淀粉样蛋白病，如阿尔茨海默病中观察到的病变、IAPP淀粉样蛋白病，如2型糖尿病中观察到的病变，以及突触核病，如帕金森病中观察到的病变，并制造用于此类治疗的药物。此外，本发明还提供了所述化合物作为成像剂的应用以及用于体内淀粉样蛋白和突触核成像和检测的方法。
• CEPHEM COMPOUND HAVING CATECHOL GROUP
  申请人：Hisakawa Shinya

  公开号：US20130102583A1

  公开（公告）日：2013-04-25

  A compound of the formula: wherein X is —N═, —CH═, or the like; W is —CH 2 — or the like; U is —S— or the like; R 1 and R 2 are each independently hydrogen, halogen, optionally substituted lower alkyl, or the like; R 3 is hydrogen or the like; each R 4 is independently hydrogen, halogen, or the like; m is an integer from 0 to 2; Q is a single bond, or the like; G is —C(═O)—, or the like; D is a single bond, —NH—, or the like; and E is a cyclic quaternary ammonium group, or an ester, a protected compound at the amino on the ring in the 7-side chain, a pharmaceutically acceptable salt, or a solvate thereof.
• US9145425B2
  申请人：——

  公开号：US9145425B2

  公开（公告）日：2015-09-29
• Effect of structure on potency and selectivity in 2,6-disubstituted-4-(2-arylethenyl)phenol lipoxygenase inhibitors
  作者：Edward S. Lazer、Hin Chor Wong、Craig D. Wegner、Anne G. Graham、Peter R. Farina

  DOI：10.1021/jm00169a010

  日期：1990.7

  A series of 2,6-disubstituted 4-(2-arylethenyl)phenols with potent human neutrophil 5-lipoxygenase (5-LO) inhibiting activity (IC50S in the 10(-7) M range) and weaker human platelet cyclooxygenase (CO) inhibiting activity (IC50S in the 10(-6) M range) is described. This series evolved from the chemical modification of an antiinflammatory dual CO/5-LO inhibitor, 2,6-di-tert-butyl-4-[2-(3-pyridyl)ethenyl]phenol (BI-L-93 BS). The potency and selectivity for 5-LO inhibition is greatly influenced by the nature of the substituents in the 2- and 6-positions. Other structure-activity relationships that determine relative 5-LO and CO potency are discussed. In vivo activity against antigen-induced leukotriene-mediated bronchoconstriction and cell influx in guinea pigs is presented. Representatives of the series are active when administered at 30 mg/kg ip.