CAS: 81267-65-4; 3-(4-Hydroxyphenyl)-2H-Chromen-7-Ol

该化合物是属于酚类化合物的一种合成化合物,主要因其潜在的治疗用途而得到承认,特别是在肿瘤学,因为肿瘤学已经调查其是否有能力在癌症细胞中诱发流行性中毒,并增强某些乳腺化物剂的功效.苯氧二醇通过调节细胞生存和死亡的各种信号路径,展示了独特的行动机制.该化合物的特点是其溶性有机溶剂和水溶性有限,影响其生物利用率和药用动力学.此外,还研究了其抗炎特性和治疗癌症以外其他病症的潜在用途.安全性和毒性特征是其发展过程中的基本考虑因素,与任何制药剂一样.

结构式图片

物理性质

MSDS等安全信息

欧盟法规

ECHA物质C&L通报

上下游产品

CAS号10499-16-8 7-benzyloxy-3-(... | CAS号922179-55-3 7-(methoxymetho... | CAS号81267-66-5 DEHYDROEQUOL DI... | CAS号1118431-83-6 7-O-methyl-4'-O... | CAS号3682-01-7 Daidzein Diacetate | CAS号108-46-3 间苯二酚 | CAS号76240-27-2 7-羟基色满-4-酮 | CAS号269409-70-3 4-羟基苯硼酸频哪醇酯 | CAS号124887-46-3 3-bromo-2,3-dih... | CAS号151884-07-0 3-chloro-1-(2,4... | CAS号81267-66-5 DEHYDROEQUOL DI...

合成工艺路线路线简述

  • 175089-66-4 = 81267-65-4
    反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water; 1 H,Rt
    标题:Structure-Activity Relationship Of Phytoestrogen Analogs As Erα/β Agonists With Neuroprotective Activities
    作者:Cho,Hye Won; Et Al
    参考文献:Chemical & Pharmaceutical Bulletin 日期:2021 卷标:69(1) 页码:99-105]

    1118431-81-4 = 81267-65-4
    反应条件:1.1 Reagents: Sodium Borohydride Solvents: Methanol; 30 Min,0 °C; 5 H,Rt1.2 Reagents: Ammonium Chloride Solvents: Water; Rt1.3 Reagents: Hydrochloric Acid Solvents: Ethanol,Water; 1.3 H,Reflux2.1 Reagents: Pyridinium Chloride; 1.5 H,220 °C2.2 Solvents: Water; Cooled
    标题:Simple And Efficient Synthesis Of (+/-)-Equol And Related Derivatives
    作者:Gupta,Atul; Et Al
    参考文献:Synthesis 日期:2008 卷标:(23) 页码:3783-3786]

    1154602-56-8 = 81267-65-4
    反应条件:1.1 Catalysts: Grubbs Second Generation Catalyst Solvents: Dichloromethane; 8 H,40 °C2.1 Reagents: Tetrabutylammonium Iodide Solvents: Dichloromethane; Rt -> -78 °C2.2 Reagents: Boron Trichloride; -78 °C; 2 H,-78 °C -> 0 °C2.3 Solvents: Water; 20 Min,0 °C2.4 Reagents: Sodium Bicarbonate Solvents: Water
    标题:Synthesis Of Haginin E,Equol,Daidzein,And Formononetin From Resorcinol Via An Isoflavene Intermediate
    作者:Li,Sie-Rong; Et Al
    参考文献:Tetrahedron Letters 日期:2009 卷标:50(18) 页码:2121-2123]

    18162-48-6 + 269409-70-3 = 81267-65-4
    反应条件:1.1 Reagents: Imidazole Solvents: Dimethylformamide; 5 H,Rt2.1 Reagents: Sodium Carbonate Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Ethanol,Toluene,Water; 2 - 8 H,80 °C2.2 Reagents: Pyridine,Hydrofluoric Acid Solvents: Tetrahydrofuran; 5 H,Rt2.3 Reagents: Trimethylethoxysilane; Rt
    标题:Total Synthesis Of Eryvarin H And Its Derivatives And Their Biological Activity As Errγ Inverse Agonist
    作者:Koo,Ja Young; Et Al
    参考文献:Organic & Biomolecular Chemistry 日期:2013 卷标:11(35) 页码:5782-5786]

    = 81267-65-4
    反应条件:1.1 Reagents: Ammonium Formate Catalysts: Palladium Dihydroxide Solvents: Ethanol,Tetrahydrofuran,Water; 15 - 20 Min,Rt2.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water; 1 H,Rt
    标题:Structure-Activity Relationship Of Phytoestrogen Analogs As Erα/β Agonists With Neuroprotective Activities
    作者:Cho,Hye Won; Et Al
    参考文献:Chemical & Pharmaceutical Bulletin 日期:2021 卷标:69(1) 页码:99-105]

    10499-16-8 = 81267-65-4
    反应条件:1.1 Reagents: Tetrabutylammonium Iodide Solvents: Dichloromethane; Rt -> -78 °C1.2 Reagents: Boron Trichloride; -78 °C; 2 H,-78 °C -> 0 °C1.3 Solvents: Water; 20 Min,0 °C1.4 Reagents: Sodium Bicarbonate Solvents: Water
    标题:Synthesis Of Haginin E,Equol,Daidzein,And Formononetin From Resorcinol Via An Isoflavene Intermediate
    作者:Li,Sie-Rong; Et Al
    参考文献:Tetrahedron Letters 日期:2009 卷标:50(18) 页码:2121-2123]

    1118431-83-6 = 81267-65-4
    反应条件:1.1 Reagents: Pyridinium Chloride; 1.5 H,220 °C1.2 Solvents: Water; Cooled
    标题:Simple And Efficient Synthesis Of (+/-)-Equol And Related Derivatives
    作者:Gupta,Atul; Et Al
    参考文献:Synthesis 日期:2008 卷标:(23) 页码:3783-3786]

    1370331-11-5 = 81267-65-4
    反应条件:1.1 Reagents: Pyridine,Hydrofluoride (1:1) Solvents: Tetrahydrofuran; 0 °C -> Rt; 7 H,Rt1.2 Reagents: Sodium Bicarbonate Solvents: Ethyl Acetate,Water
    标题:2-Morpholinoisoflav-3-Enes As Flexible Intermediates In The Synthesis Of Phenoxodiol,Isophenoxodiol,Equol And Analogues: Vasorelaxant Properties,Estrogen Receptor Binding And Rho/rhoa Kinase Pathway Inhibition
    作者:Tilley,Andrew J.; Et Al
    参考文献:Bioorganic & Medicinal Chemistry 日期:2012 卷标:20(7) 页码:2353-2361]

    1450994-70-3 + 873426-76-7 = 81267-65-4
    反应条件:1.1 Reagents: Sodium Carbonate Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Ethanol,Toluene,Water; 2 - 8 H,80 °C1.2 Reagents: Pyridine,Hydrofluoric Acid Solvents: Tetrahydrofuran; 5 H,Rt1.3 Reagents: Trimethylethoxysilane; Rt
    标题:Total Synthesis Of Eryvarin H And Its Derivatives And Their Biological Activity As Errγ Inverse Agonist
    作者:Koo,Ja Young; Et Al
    参考文献:Organic & Biomolecular Chemistry 日期:2013 卷标:11(35) 页码:5782-5786]

    17238-05-0 = 81267-65-4
    反应条件:1.1 Reagents: Sodium Borohydride
    标题:Stereospecific Biotransformation Of Dihydrodaidzein Into (3S)-Equol By The Human Intestinal Bacterium Eggerthella Strain Julong 732
    作者:Kim,Mihyang; Et Al
    参考文献:Applied And Environmental Microbiology 日期:2009 卷标:75(10) 页码:3062-3068]

    18162-48-6 + 124887-46-3 = 81267-65-4
    反应条件:1.1 Reagents: Imidazole Solvents: Dichloromethane; 15 Min,Rt1.2 1 H,Rt1.3 Reagents: Sodium Borohydride Solvents: Ethanol; 1 H,Rt1.4 Reagents: Ammonium Chloride Solvents: Water; Rt1.5 Catalysts: P-Toluenesulfonic Acid Monohydrate Solvents: Toluene; 20 Min,80 °C2.1 Reagents: Sodium Carbonate Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Ethanol,Toluene,Water; 2 - 8 H,80 °C2.2 Reagents: Pyridine,Hydrofluoric Acid Solvents: Tetrahydrofuran; 5 H,Rt2.3 Reagents: Trimethylethoxysilane; Rt
    标题:Total Synthesis Of Eryvarin H And Its Derivatives And Their Biological Activity As Errγ Inverse Agonist
    作者:Koo,Ja Young; Et Al
    参考文献:Organic & Biomolecular Chemistry 日期:2013 卷标:11(35) 页码:5782-5786]

    1370331-09-1 = 81267-65-4
    反应条件:1.1 Reagents: Boron Trifluoride Etherate,Triethylsilane Solvents: Dichloromethane; 0 °C; 18 H,Rt2.1 Reagents: Pyridine,Hydrofluoride (1:1) Solvents: Tetrahydrofuran; 0 °C -> Rt; 7 H,Rt2.2 Reagents: Sodium Bicarbonate Solvents: Ethyl Acetate,Water
    标题:2-Morpholinoisoflav-3-Enes As Flexible Intermediates In The Synthesis Of Phenoxodiol,Isophenoxodiol,Equol And Analogues: Vasorelaxant Properties,Estrogen Receptor Binding And Rho/rhoa Kinase Pathway Inhibition
    作者:Tilley,Andrew J.; Et Al
    参考文献:Bioorganic & Medicinal Chemistry 日期:2012 卷标:20(7) 页码:2353-2361
📜Tetra-Hydrodaidzein 以 苯 作为反应溶剂,化学反应生成 脑益嗪
参考文献:Therapeutic Methods And Compositions Involving Isoflavones
标题:Therapeutic Methods And Compositions Involving Isoflavones
摘要:描述了包含由一般式(1)描述的异黄酮化合物的治疗方法,组合物和食品,其中z为h,R1为h,或raco,其中ra为c1-10烷基或氨基酸,R2为h,Oh,或orb,其中rb为氨基酸,或cora,其中ra如前所定义,W为h,A为h或oh,B从(a),(b),(c)中选择,或w为h,A和b一起形成从(d)中选择的六元环,或w,A和b与它们相关联的基团一起构成(e),或w和a与它们相关联的基团一起构成(f),B为(g),其中r3为h,Cora,其中ra如前所定义,Co2Rc,其中rc为c1-10烷基,或corb,其中rb如前所定义,R4为h,Cord,其中rd为h,Oh,C1-10烷基或氨基酸,Co2Rc,其中rc如前所定义,Core,其中re为h,C1-10烷基或氨基酸,Cooh,Corc,其中rc如前所定义,或conhre,其中re如前所定义,R5为h,Corc,其中rc如前所定义,或corcore,其中rc和re如前所定义,两个r5基团连接到相同基团时,它们相同或不同,R6为h或羟基c1-10烷基,X优选为o,但也可以是n或s,Y为(h),其中r7为h或c1-10烷基.

海关参考信息

专利信息


专利号:US-2017283878-A1
优先权日:2015-12-11
标题:Modulation of globoseries glycosphingolipid synthesis and cancer biomarkers
发明人：WONG CHI-HUEY; WU CHUNG-YI; CHEUNG SARAH K C; CHUANG PO-KAI; HSU TSUI-LING
权利人:ACADEMIA SINICA
摘要:The present disclosure relates to methods and compositions which can modulate the globoseries glycosphingolipid synthesis. Particularly, the present disclosure is directed to glycoenzyme inhibitor compound and compositions and methods of use thereof that can modulate the synthesis of globoseries glycosphingolipid SSEA-3/SSEA-4/GloboH in the biosynthetic pathway; particularly, the glycoenzyme inhibitors target the alpha-4GalT; beta-4GalNAcT-I; or beta-3GalT-V enzymes in the globoseries synthetic pathway. Additionally, the present disclosure is also directed to vaccines, antibodies, and/or immunogenic conjugate compositions targeting the SSEA-3/SSEA-4/GLOBO H associated epitopes (natural and modified) which elicit antibodies and/or binding fragment production useful for modulating the globoseries glycosphingolipid synthesis. Moreover, the present disclosure is also directed to the method of using the compositions described herein for the treatment or detection of hyperproliferative diseases and/or conditions. Furthermore, the instant disclosure also relates to cancer stem cell biomarkers for diagnostic and therapeutic uses.

专利号:WO-02089757-A3
优先权日:2001-05-09
标题 :Use of isoflavones in cosmetic or dermatological preparations
发明人：BIERGIESSER HELGA; GALLINAT STEFAN; HERPENS ANDREAS; VENZKE KIRSTEN; SCHOENROCK UWE; STAEB FRANZ
权利人:BEIERSDORF AG; BIERGIESSER HELGA; GALLINAT STEFAN; HERPENS ANDREAS; VENZKE KIRSTEN; SCHOENROCK UWE; STAEB FRANZ
摘要:The use of substances selected from the following group: ipriflavone (7 -isopropoxy-isoflavone), formononetin (7 -hydroxy-4'-hethoxyisoflavonr) ononin (formononetin-7-O-β-D-glucopyranoside) 4'-isopropyl-isoflavone, mono-hydroxy-isoflavone, mono-hydroxy-dihydro-isoflavone, mono-hydroxy- tetrahydro-isoflavone, O-desmethylangolensin, dihydro-daidzein (dihydro-7,4'- dihydroxy-isoflavone), tetrahy dro-daidzein (tetrahydro- 7,4'-dihydroxy-isoflavone), dihydro-genistein (dihydro-5,7,4'-trihydroxy-isoflavone), 2-dehydro-O-desmethyl-angolensin, dehydroequol, 4-hydroxy-7-glucose-isoflavone and 5-hydroy-7,4'-dimethoxy-isoflavone, in cosmetic or dermatological preparations in the treatment and prophylaxis of symptoms of inflammatory or itchy skin conditions in sensible skin and in modificiations of DNS synthesis and/or DNS repair in skin.

专利号:US-7700644-B2
优先权日:2005-03-24
标 题:Isoflavonoid dimers
发明人：HEATON ANDREW; KUMAR NARESH
权利人:NOVOGEN RES PTY LTD
摘要:Novel compounds based on phenyl-substituted naphtho[1,2-g]chrysene compounds (A) are described. The compounds are obtainable by dimerisation of 3-phenylchroman (isoflavonoid) ring systems (B). Methods of synthesis of the novel dimeric compounds, compositions containing same and use of the dimers as therapeutic agents are also described.

专利号:WO-2005103025-A1
优先权日:2004-04-21
标 题 :Isoflavene synthetic method and catalyst
发明人：HEATON ANDREW; JEOFFREYS GEORGE
权利人:NOVOGEN RES PTY LTD; HEATON ANDREW; JEOFFREYS GEORGE
摘要:An improved process for the synthesis of hydroxy-substituted isoflavan-4-ol and isoflavene compounds from isoflavones is described. The invention further relates to a novel basified hydrogenation catalyst and uses thereof.

专利号:US-9585890-B2
优先权日:2012-09-26
标题 :Modulators of androgen synthesis
发明人：DILLY SUZANNE; STOLOFF GREGORY; TAYLOR PAUL
权利人:TANGENT REPROFILING LTD
摘要:The present specification discloses compositions comprising at least one therapeutic compound capable of modulating androgen production and methods and uses for treating a disorder associated with androgen production using such compositions and/or compounds.

专利号:US-9808462-B2
优先权日:2012-09-26
标题 :Modulators of androgen synthesis
发明人：DILLY SUZANNE; STOLOFF GREGORY; TAYLOR PAUL
权利人:TANGENT REPROFILING LTD
摘要:The present specification discloses compositions comprising at least one therapeutic compound capable of modulating androgen production and methods and uses for treating a disorder associated with androgen production using such compositions and/or compounds.

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主要参考文献


1: Mahoney S, Arfuso F, Millward M, Dharmarajan A. The effects of phenoxodiol on the cell cycle of prostate cancer cell lines. Cancer Cell Int. 2014 Nov 8;14(1):110. doi: 10.1186/s12935-014-0110-z. eCollection 2014.
2: Li Y, Huang X, Huang Z, Feng J. Phenoxodiol enhances the antitumor activity of gemcitabine in gallbladder cancer through suppressing Akt/mTOR pathway. Cell Biochem Biophys. 2014 Nov;70(2):1337-42. doi: 10.1007/s12013-014-0061-y. doi: 10.1093/annonc/mdt515. Epub 2013 Dec 5. doi: 10.1016/j.molonc.2012.04.002. Epub 2012 May 5. doi: 10.1016/j.bmc.2012.02.008. Epub 2012 Feb 11. doi: 10.1016/j.bbagen.2011.04.011. Epub 2011 May 5. doi: 10.1097/IGC.0b013e3182126f05. doi: 10.1186/1472-6904-11-1.
10: Aguero MF, Venero M, Brown DM, Smulson ME, Espinoza LA. Phenoxodiol inhibits growth of metastatic prostate cancer cells. Prostate. 2010 Aug;70(11):1211-21. doi: 10.1002/pros.21156. doi: 10.3233/BIO-2009-1079. doi: 10.3324/haematol.2008.003996. Epub 2009 Jun 16.

合成参考文献


摘要:S109 | PARCEDC | List of 7074 potential endocrine disrupting compounds (EDCs) by PARC T4.2 | DOI:10.5281/zenodo.10944198
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