2,6-二甲基-4-[2-(噻吩-2-基)乙烯基]苯酚 | 127035-58-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2,6-二甲基-4-[2-(噻吩-2-基)乙烯基]苯酚
• 英文名称: 2,6-dimethyl-4-[2-(thien-2-yl)ethenyl]phenol
• 英文别名: 2,6-dimethyl-4-[2-(2-thienyl)ethenyl]phenol；2,6-Dimethyl-4-(2-(2-thienyl)ethenyl)phenol；2,6-dimethyl-4-[(E)-2-thiophen-2-ylethenyl]phenol
• CAS: 127035-58-9
• 化学式: C₁₄H₁₄OS
• 分子量: 230.331
• InChiKey: CUTHZVKEIWXBMP-AATRIKPKSA-N

物化性质

• 熔点：
  132-133 °C
• 沸点：
  360.2±11.0 °C(Predicted)
• 密度：
  1.192±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  48.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,6-二甲基-4-[2-(噻吩-2-基)乙烯基]苯酚 生成 2,6-diethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
  参考文献：
  名称：

  LAZER, EDWARD S.;WONG, HIN-CHOR;WEGNER, GRAIG D.;GRAHAM, ANNE G.;FARINA, +, J. MED. CHEM., 33,(1990) N, C. 1892-1898

  摘要：

  DOI：
• 作为产物：
  描述：

  2-噻吩乙酸 、 3,5-二甲基-4-羟基苯甲醛 在 哌啶 作用下， 以 二氯甲烷 为溶剂， 反应 7.0h， 以46.5%的产率得到2,6-二甲基-4-[2-(噻吩-2-基)乙烯基]苯酚
  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

• Compounds for inhibiting the biosynthesis of lipoxygenase-derived metabolites of arachidonic acid
  申请人：BOEHRINGER INGELHEIM PHARMACEUTICALS INC.

  公开号：EP0334119B1

  公开（公告）日：1993-06-16
• LAZER, EDWARD S.;WONG, HIN-CHOR;WEGNER, GRAIG D.;GRAHAM, ANNE G.;FARINA, +, J. MED. CHEM., 33,(1990) N, C. 1892-1898
  作者：LAZER, EDWARD S.、WONG, HIN-CHOR、WEGNER, GRAIG D.、GRAHAM, ANNE G.、FARINA, +

  DOI：——

  日期：——
• HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS
  申请人：Techfields Pharma Co., Ltd.

  公开号：EP2849738A1

  公开（公告）日：2015-03-25
• Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas
  申请人：Claesson Hans-Erik

  公开号：US20080081835A1

  公开（公告）日：2008-04-03

  The invention relates to the use of an inhibitor of the biosynthesis and/or function of LTB 4 for the manufacture of a medicament for the treatment of B-cell chronic lymphocytic leukemia (B-CLL), B-prolymphocytic leukemia (B-PLL) or B-cell lymphoma. Preferably, the inhibitor of the biosynthesis and/or function of LTB 4 is the inhibitor of 5-LO BWA4C or the inhibitor of FLAP MK-886.
• Method and composition for treating inflammatory disorders
  申请人：Pereswetoff-Morath Lena

  公开号：US20090220583A1

  公开（公告）日：2009-09-03

  There is provided homogeneous pharmaceutical compositions for the treatment of inflammatory disorders comprising an antiinflammatory and/or antihistaminic active ingredient, a polar lipid liposome and a pharmaceutically-acceptable aqueous carrier.