CAS: 161172-51-6; 2-(3-(3-((5-Ethyl-4'-Fluoro-2-Hydroxy-[1,1'-Biphenyl]-4-yl)Oxy)Propoxy)-2-Propylphenoxy)Benzoic Acid
该化合物是一种复杂的有机化合物,其特点是多功能结构,包括多种芳香环和醚联系.该化合物具有苯并酸味,表明它具有酸性,并且由于有烷基和丙烯基组的存在,有可能表现出疏水特性.一个含氟联苯组的存在表明它有可能在药物或农用化学中应用,因为氟联产化合物往往会增强生物活动和亲脂性.此外,氢氧基组有助于其氢联结潜力,这可能影响溶性与再活性.复杂的结构意味着它可能与生物目标有特定互动,从而引起对药化学的兴趣.
- 英文名称2-(3-(3-((5-Ethyl-4'-Fluoro-2-Hydroxy-[1,1'-Biphenyl]-4-yl)Oxy)Propoxy)-2-Propylphenoxy)Benzoic Acid
- 中文名称2-[3-[3-[2-乙基-4-(4-氟苯基)-5-羟基苯氧基]丙氧基]-2-丙基苯氧基]苯甲酸
- IUPAC名称2-(3-(3-((5-ethyl-4'-fluoro-2-hydroxy-[1,1'-biphenyl]-4-yl)oxy)propoxy)-2-propylphenoxy)benzoic acid
- 其它别名2-[2-Propyl-3-[3-[2-Ethyl-4-(4-Fluorophenyl)-5-Hydroxyphenoxy]Propoxy]Phenoxy]Benzoic Acid; Etalocib [usan:Inn]; Etalocib (Usan)
- CAS编号161172-51-6
- MFCD编号:MFCD11977723
- FDA UNII编号:THY6RIW44R
- 分子式:C33H33FO6分子量:544.62
- 产品CID: 813314
- 同类组份化合物CAS161172-51-6 (free base)152608-41-8 (sodium)
- 产品分类Inhibitors/Agonists → Immunology/Inflammation → LTR | Benzene Compounds
物理性质
- 熔点68-70 °C(溶剂: acetonitrile (75-05-8))
- 沸点656.8±55.0 °C(预测)
- 闪点351°C
- 密度1?+-.0.06 g/cm3(预测)
- pKa:3.32±0.36(预测)
- PSA:85.22
- LogP:8.5
- 折射率1.593
- 溶解性DMSO:98.5(Max Conc. mg/mL);173.85(Max Conc. Mm)
- 外观形态白色至类白色固体
- 储存条件储存在 -20°C
- 产品应用该化合物用作:-抑制活体中LTT4诱发的空气阻塞(ED50=14微克/KG I.V.;ED 50=0.4毫克/KKG P.O.);-制止A23187诱发肺炎变异的口服猪;-诱发流行并抑制人类胰腺癌细胞的扩散(如MIAPACA-2和APC-1);-在小鼠体内抑制人类血管癌的生长(250毫克/千克/天);-用依赖浓度的方式抑制LT24诱发CD11B的上调;-在体外作为人类中微营养素功能的强大和选择性敌手.
MSDS等安全信息
合成工艺路线路线简述
海关参考信息
- 2902600000-乙苯
2905121000-正丙醇
2905399001-1,3-丙二醇
2906210000-苄醇 - 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
- 详情请参考：📖 海关编码查询和海关进出口税则
专利信息
专利号:US-5462954-A
优先权日:1991-11-25
标题:Substituted phenyl phenol leukotriene antagonists
发明人：BAKER S RICHARD; DILLARD ROBERT D; FLOREANCIG PAUL E; SAWYER J SCOTT; SOFIA MICHAEL J
权利人:LILLY CO ELI
摘要:Antagonists having a substituted phenyl phenol or a substituted phenolic biphenyl structure, and various derivatives thereof, are specific leukotriene antagonists. Their structures, use and synthesis are disclosed. Also, pharmaceutical formulations are disclosed for use in applications treating diseases or conditions characterized by excessive release of leukotriene B4, one of the metabolites of arachidonic acid. The primary LTB4 antagonistic structures are represented as:
专利号:US-10500178-B2
优先权日:2015-03-13
标题 :LTB4 inhibition to prevent and treat human lymphedema
发明人：ROCKSON STANLEY G; NICOLLS MARK R; TIAN WEN A; JIANG XINGUO; KIM JEANNA
权利人:UNIV LELAND STANFORD JUNIOR
摘要:Provided are therapeutic methods for treating a patient with lymphedema, or prophylactically treating an individual susceptible to lymphedema, by inhibiting synthesis activity of leukotriene B 4 .
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品牌试剂参考报价(招募中)
📌 第三方产品分析报告
主要参考文献
1: Saif MW, Oettle H, Vervenne WL, Thomas JP, Spitzer G, Visseren-Grul C, Enas N, Richards DA. Randomized double-blind phase II trial comparing gemcitabine plus LY293111 versus gemcitabine plus placebo in advanced adenocarcinoma of the pancreas. Cancer J. 2009 Jul-Aug;15(4):339-43. Epub 2009 Jan 27.
3: Tong WG, Ding XZ, Talamonti MS, Bell RH, Adrian TE. Leukotriene B4 receptor antagonist LY293111 induces S-phase cell cycle arrest and apoptosis in human pancreatic cancer cells. Anticancer Drugs. 2007 Jun;18(5):535-41. Epub 2006 Dec 5.
7: Schwartz GK, Weitzman A, O'Reilly E, Brail L, de Alwis DP, Cleverly A, Barile-Thiem B, Vinciguerra V, Budman DR. Phase I and pharmacokinetic study of LY293111, an orally bioavailable LTB4 receptor antagonist, in patients with advanced solid tumors. J Clin Oncol. 2005 Aug 10;23(23):5365-73. Epub 2005 Jun 6. Review.
合成参考文献
参考文献:10.1007/s12094-006-0175-9
摘要:Soto JL, Barbera VM, Saceda M, Carrato A. Molecular biology of exocrine pancreatic cancer. Clinical and Translational Oncology. 2006 May;8(5):306–12. doi: 10.1007/s12094-006-0175-9.
参考文献:10.1007/s00011-007-7149-4
摘要:Shirumalla RK, Sharma P, Dastidar SG, Paliwal JK, Kakar S, Varshney B, Singh Saini G, Sattigeri V, Salman M, Ray A. Pharmacodynamic and pharmacokinetic characterisation of RBx 7796: a novel 5-lipoxygenase inhibitor. Inflamm Res. 2008 Mar;57(3):135–43. doi: 10.1007/s00011-007-7149-4.
参考文献:10.1007/s00280-004-0890-2
摘要:Xiong HQ. Molecular targeting therapy for pancreatic cancer. Cancer Chemother Pharmacol. 2004 Sep;54 Suppl 1():S69–77. doi: 10.1007/s00280-004-0890-2.
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