CAS: 82413-20-5; (E)-3-(1-(4-(2-(Dimethylamino)Ethoxy)Phenyl)-2-Phenylbut-1-En-1-yl)Phenol

该化合物是一种选择性雌激素受体调节器,可能用于肿瘤学和荷尔蒙治疗.在结构上,它与多氧素有关,对雌激素受体具有高度的结合性,表明对雌激素受体的刺激作用和对立作用取决于组织类型.它的主要优势包括:与早期的SEMM相比,子宫组织中的代谢稳定性和降低雌激素活动,最大限度地减少副作用. 临床研究表明生物利用率和有利的药用植物特征有所增强,使其成为乳腺癌治疗和骨质疏松症管理的候选产品. 卓克西芬在不刺激末期扩散的情况下对骨密度保持的选择性行动强调了它的治疗潜力. 正在进行进一步的研究,以评估其临床功效和安全性.

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MSDS等安全信息

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CAS号83647-29-4 3-{(Z)-1-[4-(2-... | CAS号83647-26-1 1-(4-(2-(dimeth... | CAS号879893-00-2 3-(1-(4-(2-(dim... | CAS号40595-34-4 trimethyl-[(E)-... | CAS号100-66-3 苯甲醚 | CAS号134518-89-1 (3-formylphenyl... | CAS号57999-49-2 2-(3-溴苯氧基)四氢-2H-吡喃 | CAS号75731-44-1 3,4-二甲氧基苯甲酮 | CAS号611-81-4 (3-hydroxypheny...

合成工艺路线路线简述

  • 879893-00-2 = 82413-20-5
    反应条件:1.1 Reagents: Methyllithium Solvents: Tetrahydrofuran
    标题:Short-Step Synthesis Of Droloxifene Via The Three-Component Coupling Reaction Among Aromatic Aldehyde,Cinnamyltrimethylsilane,And β-Chlorophenetole
    作者:Sano,Yoshiyuki; Et Al
    参考文献:Tetrahedron Letters 日期:2006 卷标:47(10) 页码:1631-1635]

    83647-29-4 = 82413-20-5
    反应条件:1.1 Reagents: Trifluoromethanesulfonic Acid Solvents: Dichloromethane; 2 H,0 °C
    标题:Short-Step Synthesis Of Droloxifene Via The Three-Component Coupling Reaction Among Aromatic Aldehyde,Cinnamyltrimethylsilane,And β-Chlorophenetole
    作者:Sano,Yoshiyuki; Et Al
    参考文献:Tetrahedron Letters 日期:2006 卷标:47(10) 页码:1631-1635]

    879893-06-8 = 82413-20-5
    反应条件:1.1 Catalysts: Potassium Tert-Butoxide Solvents: Dimethyl Sulfoxide; 2 H,50 °C2.1 Reagents: Trifluoromethanesulfonic Acid Solvents: Dichloromethane; 2 H,0 °C
    标题:Short-Step Synthesis Of Droloxifene Via The Three-Component Coupling Reaction Among Aromatic Aldehyde,Cinnamyltrimethylsilane,And β-Chlorophenetole
    作者:Sano,Yoshiyuki; Et Al
    参考文献:Tetrahedron Letters 日期:2006 卷标:47(10) 页码:1631-1635]

    = 82413-20-5
    反应条件:1.1 Solvents: Ethanol; 8 H,110 °C2.1 Reagents: Potassium Tert-Butoxide Solvents: Dimethyl Sulfoxide; 2 H,50 °C3.1 Reagents: Trifluoromethanesulfonic Acid Solvents: Dichloromethane; 2 H,0 °C
    标题:An Expeditious Synthesis Of Tamoxifen,A Representative Serm (Selective Estrogen Receptor Modulator),Via The Three-Component Coupling Reaction Among Aromatic Aldehyde,(Cinnamyl)Trimethylsilane,And β-Chlorophenetole
    作者:Shiina,Isamu; Et Al
    参考文献:Bioorganic & Medicinal Chemistry 日期:2007 卷标:15(24) 页码:7599-7617]

    263395-57-9 = 82413-20-5
    反应条件:1.1 Catalysts: Zinc,Titanium Tetrachloride Solvents: Tetrahydrofuran2.1 Reagents: Potassium Carbonate Solvents: Acetone,Water3.1 Reagents: Methyllithium Solvents: Tetrahydrofuran
    标题:New Highly Stereoselective Synthesis Of (E)-Droloxifene Via Selective Protection Of 3,4'-Dihydroxybenzophenone And Mcmurry Reaction
    作者:Gauthier,Sylvain; Et Al
    参考文献:Tetrahedron 日期:2000 卷标:56(5) 页码:703-709]

    4584-46-7 + 6966-21-8 = 82413-20-5
    反应条件:1.1 Reagents: Sodium Ethoxide Solvents: Ethanol2.1 Reagents: Butyllithium Solvents: Tetrahydrofuran3.1 Reagents: Hydrochloric Acid Solvents: Methanol3.2 Reagents: Hydrochloric Acid Solvents: Water
    标题:Synthesis Of Droloxifene Citrate And Its New Bioactivity
    作者:Chen,Ying; Et Al
    参考文献:Yaoxue Xuebao 日期:2000 卷标:35(12) 页码:902-905]

    19752-23-9 + 622-86-6 + 134518-89-1 = 82413-20-5
    反应条件:1.1 Catalysts: Hafnium Tetrachloride,Trimethylsilyl Triflate Solvents: (2-Chloroethoxy)Benzene; 2 H,Rt2.1 Solvents: Ethanol; 8 H,110 °C3.1 Reagents: Potassium Tert-Butoxide Solvents: Dimethyl Sulfoxide; 2 H,50 °C4.1 Reagents: Trifluoromethanesulfonic Acid Solvents: Dichloromethane; 2 H,0 °C
    标题:An Expeditious Synthesis Of Tamoxifen,A Representative Serm (Selective Estrogen Receptor Modulator),Via The Three-Component Coupling Reaction Among Aromatic Aldehyde,(Cinnamyl)Trimethylsilane,And β-Chlorophenetole
    作者:Shiina,Isamu; Et Al
    参考文献:Bioorganic & Medicinal Chemistry 日期:2007 卷标:15(24) 页码:7599-7617]

    879892-94-1 = 82413-20-5
    反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide2.1 Reagents: Potassium Fluoride,Hydrogen Bromide Solvents: Dimethylformamide3.1 Reagents: Potassium Carbonate Solvents: Acetone,Water4.1 Reagents: Methyllithium Solvents: Tetrahydrofuran
    标题:Short-Step Synthesis Of Droloxifene Via The Three-Component Coupling Reaction Among Aromatic Aldehyde,Cinnamyltrimethylsilane,And β-Chlorophenetole
    作者:Sano,Yoshiyuki; Et Al
    参考文献:Tetrahedron Letters 日期:2006 卷标:47(10) 页码:1631-1635]

    263395-59-1 = 82413-20-5
    反应条件:1.1 Reagents: Methyllithium Solvents: Tetrahydrofuran
    标题:New Highly Stereoselective Synthesis Of (E)-Droloxifene Via Selective Protection Of 3,4'-Dihydroxybenzophenone And Mcmurry Reaction
    作者:Gauthier,Sylvain; Et Al
    参考文献:Tetrahedron 日期:2000 卷标:56(5) 页码:703-709]

    83647-29-4 = 82413-20-5
    反应条件:1.1 Reagents: Trifluoromethanesulfonic Acid Solvents: Dichloromethane; 2 H,0 °C
    标题:An Expeditious Synthesis Of Tamoxifen,A Representative Serm (Selective Estrogen Receptor Modulator),Via The Three-Component Coupling Reaction Among Aromatic Aldehyde,(Cinnamyl)Trimethylsilane,And β-Chlorophenetole
    作者:Shiina,Isamu; Et Al
    参考文献:Bioorganic & Medicinal Chemistry 日期:2007 卷标:15(24) 页码:7599-7617]

    83647-26-1 = 82413-20-5
    反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Methanol1.2 Reagents: Hydrochloric Acid Solvents: Water
    标题:Synthesis Of Droloxifene Citrate And Its New Bioactivity
    作者:Chen,Ying; Et Al
    参考文献:Yaoxue Xuebao 日期:2000 卷标:35(12) 页码:902-905]

    263395-58-0 + 107-99-3 = 82413-20-5
    反应条件:1.1 Reagents: Potassium Carbonate Solvents: Acetone,Water2.1 Reagents: Methyllithium Solvents: Tetrahydrofuran
    标题:New Highly Stereoselective Synthesis Of (E)-Droloxifene Via Selective Protection Of 3,4'-Dihydroxybenzophenone And Mcmurry Reaction
    作者:Gauthier,Sylvain; Et Al
    参考文献:Tetrahedron 日期:2000 卷标:56(5) 页码:703-709]

    879892-98-5 + 107-99-3 = 82413-20-5
    反应条件:1.1 Reagents: Potassium Carbonate Solvents: Acetone,Water2.1 Reagents: Methyllithium Solvents: Tetrahydrofuran
    标题:Short-Step Synthesis Of Droloxifene Via The Three-Component Coupling Reaction Among Aromatic Aldehyde,Cinnamyltrimethylsilane,And β-Chlorophenetole
    作者:Sano,Yoshiyuki; Et Al
    参考文献:Tetrahedron Letters 日期:2006 卷标:47(10) 页码:1631-1635]

    68047-07-4 + 57999-49-2 = 82413-20-5
    反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran2.1 Reagents: Hydrochloric Acid Solvents: Methanol2.2 Reagents: Hydrochloric Acid Solvents: Water
    标题:Synthesis Of Droloxifene Citrate And Its New Bioactivity
    作者:Chen,Ying; Et Al
    参考文献:Yaoxue Xuebao 日期:2000 卷标:35(12) 页码:902-905]

    879893-06-8 = 82413-20-5
    反应条件:1.1 Reagents: Potassium Tert-Butoxide Solvents: Dimethyl Sulfoxide; 2 H,50 °C2.1 Reagents: Trifluoromethanesulfonic Acid Solvents: Dichloromethane; 2 H,0 °C
    标题:An Expeditious Synthesis Of Tamoxifen,A Representative Serm (Selective Estrogen Receptor Modulator),Via The Three-Component Coupling Reaction Among Aromatic Aldehyde,(Cinnamyl)Trimethylsilane,And β-Chlorophenetole
    作者:Shiina,Isamu; Et Al
    参考文献:Bioorganic & Medicinal Chemistry 日期:2007 卷标:15(24) 页码:7599-7617]

    879893-02-4 = 82413-20-5
    反应条件:1.1 Solvents: Ethanol; 8 H,110 °C2.1 Catalysts: Potassium Tert-Butoxide Solvents: Dimethyl Sulfoxide; 2 H,50 °C3.1 Reagents: Trifluoromethanesulfonic Acid Solvents: Dichloromethane; 2 H,0 °C
    标题:Short-Step Synthesis Of Droloxifene Via The Three-Component Coupling Reaction Among Aromatic Aldehyde,Cinnamyltrimethylsilane,And β-Chlorophenetole
    作者:Sano,Yoshiyuki; Et Al
    参考文献:Tetrahedron Letters 日期:2006 卷标:47(10) 页码:1631-1635]

    = 82413-20-5
    反应条件:1.1 Reagents: Potassium Fluoride,Hydrogen Bromide Solvents: Dimethylformamide2.1 Reagents: Potassium Carbonate Solvents: Acetone,Water3.1 Reagents: Methyllithium Solvents: Tetrahydrofuran
    标题:Short-Step Synthesis Of Droloxifene Via The Three-Component Coupling Reaction Among Aromatic Aldehyde,Cinnamyltrimethylsilane,And β-Chlorophenetole
    作者:Sano,Yoshiyuki; Et Al
    参考文献:Tetrahedron Letters 日期:2006 卷标:47(10) 页码:1631-1635]

    19752-23-9 + 622-86-6 + 134518-89-1 = 82413-20-5
    反应条件:1.1 Catalysts: Hafnium Tetrachloride,Trimethylsilyl Triflate Solvents: (2-Chloroethoxy)Benzene; Rt; 2 H,Rt2.1 Solvents: Ethanol; 8 H,110 °C3.1 Catalysts: Potassium Tert-Butoxide Solvents: Dimethyl Sulfoxide; 2 H,50 °C4.1 Reagents: Trifluoromethanesulfonic Acid Solvents: Dichloromethane; 2 H,0 °C
    标题:Short-Step Synthesis Of Droloxifene Via The Three-Component Coupling Reaction Among Aromatic Aldehyde,Cinnamyltrimethylsilane,And β-Chlorophenetole
    作者:Sano,Yoshiyuki; Et Al
    参考文献:Tetrahedron Letters 日期:2006 卷标:47(10) 页码:1631-1635]

    = 82413-20-5
    反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide2.1 Catalysts: Zinc,Titanium Tetrachloride Solvents: Tetrahydrofuran3.1 Reagents: Potassium Carbonate Solvents: Acetone,Water4.1 Reagents: Methyllithium Solvents: Tetrahydrofuran
    标题:New Highly Stereoselective Synthesis Of (E)-Droloxifene Via Selective Protection Of 3,4'-Dihydroxybenzophenone And Mcmurry Reaction
    作者:Gauthier,Sylvain; Et Al
    参考文献:Tetrahedron 日期:2000 卷标:56(5) 页码:703-709]

    78423-10-6 = 82413-20-5
    反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Pyridine2.1 Reagents: Sodium Ethoxide Solvents: Ethanol3.1 Reagents: Butyllithium Solvents: Tetrahydrofuran4.1 Reagents: Hydrochloric Acid Solvents: Methanol4.2 Reagents: Hydrochloric Acid Solvents: Water
    标题:Synthesis Of Droloxifene Citrate And Its New Bioactivity
    作者:Chen,Ying; Et Al
    参考文献:Yaoxue Xuebao 日期:2000 卷标:35(12) 页码:902-905
📜2-(3-溴苯氧基)四氢-2H-吡喃置于盐酸,正丁基锂体系中,用 甲醇 作为反应溶剂,化学反应 11.0H,反应生成 屈洛昔芬
参考文献:他莫昔芬的羟基衍生物.
标题:他莫昔芬的羟基衍生物.
摘要:在探索影响他莫昔芬[反-(z)-1-[4-[2-(二甲基氨基)乙氧基] Rba(相对于雌二醇的大鼠子宫雌激素受体的结合亲和力)的结构特征苯基]-1,2,2-二苯基-1-丁烯]系列,已经合成了在1-苯基上被各种取代的几种衍生物.[在他莫昔芬系列中,定义几何异构体的构型并取决于芳族部分和乙基中取代基的位置和性质的描述符e和z可能会有所变化,尽管相对构型(顺式或反式)才不是.为了避免混淆,在本文中将使用术语顺式和反式来表示4-[2-(二甲基氨基)乙氧基]苯基与乙基(或羟乙基,羟丙基,每一合成的最后阶段涉及叔醇的酸催化脱水,与已知的近似等摩尔顺式的3-和4-羟基衍生物相反,反式混合物,仅获得2-羟基,2-甲基,2,4-二羟基和4-羟基-2-甲基衍生物的反式形式.同样,与3-和4-羟基衍生物的反式形式很容易平衡成顺式,反式混合物相反,反式2-羟基衍生物不能被异构化.他莫昔芬和2-甲基他莫昔芬
DOI:10.1021/jm00148A020

海关参考信息

专利信息


专利号:US-11873305-B2
优先权日:2020-06-30
标题 :Processes for synthesis of substituted indole intermediates for the synthesis of serd compounds
发明人：ZHANG HAIMING; XU JIE; WUITSCHIK GEORG; ANGELAUD REMY; HEROLD SEBASTIAN; STUTZ ALFRED; BRUETSCH TOBIAS; BURKHARD JOHANNES
权利人:GENENTECH INC; HOFFMANN LA ROCHE
摘要:Provided herein are processes for the preparation of indolyl intermediates using Wenker Synthesis for the total synthesis of SERD compounds useful in the treatment of cancer.

专利号:US-12383499-B2
优先权日:2018-01-01
标题:Scale up synthesis of silicasome nanocarriers
发明人：NEL ANDRE E; MENG HUAN; LIU XIANGSHENG
权利人:UNIV CALIFORNIA
摘要:In order to facilitate the approval and commercialization of silicasome drug delivery systems (e.g. irinotecan silicasomes) it is necessary to scale up synthesis of the drug-loaded silicasomes. In this regard, it was discovered that the synthesis protocols used for laboratory synthesis of drug-loaded silicasomes (e.g., 500 mg/batch) do not scale to large scale silicasome production, because the resulting products were too heterogeneous for use as pharmaceuticals. Accordingly, new methods are provided herein that effectively afford the large-scale production of mesoporous silica nanoparticles (MSNPs) and lipid bilayer coated MSNPs (silicasomes).

专利号:US-2012177593-A1
优先权日:2009-07-20
标 题 :Synthesis of dendrimer conjugates
发明人：BAKER JR JAMES R; ZHANG YUEHUA; THOMAS THOMMEY P; DESAI ANKUR MAHESH
权利人:BAKER JR JAMES R; ZHANG YUEHUA; THOMAS THOMMEY P; DESAI ANKUR MAHESH; UNIV MICHIGAN
摘要:The present invention relates to novel methods of synthesis of therapeutic and diagnostic dendrimers. In particular, the present invention is directed to novel dendrimer conjugates, novel methods of synthesizing the same, compositions comprising the conjugates, as well as systems and methods utilizing the conjugates (e.g., in diagnostic and/or therapeutic settings (e.g., for the delivery of therapeutics, imaging, and/or targeting agents (e.g., in disease (e.g., cancer, inflammatory disease) diagnosis and/or therapy, pain therapy, etc.)). Accordingly, dendrimer conjugates of the present invention may further comprise at least two different components for targeting, imaging, sensing, and/or providing a therapeutic or diagnostic material and/or monitoring response to therapy. Furthermore, the novel synthesis methods of certain embodiments of the present invention provide significant advantages with regard to total reaction time and simplicity.

专利号:WO-2017080770-A1
优先权日:2015-11-10
标题 :Synthesis of (z)-endoxifen hydrochloride
发明人：HEINKELE GEORG; MUERDTER THOMAS; SCHWAB MATTHIAS
权利人:ROBERT BOSCH GES FÃœR MEDIZINISCHE FORSCHUNG MBH
摘要:The invention relates to the synthesis of tamoxifen, endoxifen and derivatives thereof. Starting from a substituted benzoic acid derivative and 2-phenoxyethyl halide, the intermediate product of general formula (I) is obtained. The compound of general formula (VI) or a salt thereof is obtained from the compound of general formula (I), via isomer purification of the compound of general formula (I) by obtaining the (Z)-isomers and reacting the (Z)-isomers with an amine of formula HNR 6 R 7 . Alternatively, the compound of general formula (I) is reacted with a compound of formula HNR 6 R 7 , and the amine thus obtained is then subjected to isomer purification, wherein the compound of general formula (VI) or a salt thereof is obtained.

专利号:US-10925977-B2
优先权日:2006-10-05
标 题 :Efficient synthesis of chelators for nuclear imaging and radiotherapy: compositions and applications
发明人：YANG DAVID J; YU DONGFANG; THOMPSON ANDREW S
权利人:YANG DAVID J; YU DONGFANG; THOMPSON ANDREW S; CEIL POINT LLC; UNIV TEXAS
摘要:Novel methods of synthesis of chelator-targeting ligand conjugates, compositions comprising such conjugates, and therapeutic and diagnostic applications of such conjugates are disclosed. The compositions include chelator-targeting ligand conjugates optionally chelated to one or more metal ions. Methods of synthesizing these compositions in high purity are also presented. Also disclosed are methods of imaging, treating and diagnosing disease in a subject using these novel compositions, such as methods of imaging a tumor within a subject and methods of diagnosing myocardial ischemia.

专利号:US-2024209029-A1
优先权日:2021-04-21
标题:Adiponectin glycopeptides and compositions and methods of use thereof
发明人：WANG YU; LI XUECHEN; XU AIMIN; WU HONGXIANG; ZHANG YIWEI; LI YUANXIN
权利人:UNIV HONG KONG
摘要:An improved method for the chemical synthesis of glycosylated peptides has been developed. The method uses stereoselective glycan synthesis and chemical peptide ligation to produce glycopeptides at lower-cost and with higher efficiency/yield compared to conventional methods. In particular, a method for the large-scale, chemical synthesis of hydroxylated amino acid building blocks and glycosylated amino acids suitable for solid phase peptide synthesis (SPPS) are disclosed. SPPS-based methods using the glycosylated amino acids to chemically synthesize adiponectin-like peptides are also described. In vivo studies show that the adiponectin mimicking glycopeptides exhibit significant anticancer, anti-obesity and insulin sensitizing effects. Pharmaceutical compositions of the synthetic glycopeptides and methods of use thereof in treating diseases associated with deficient adiponectin are also described.

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主要参考文献


1: Buzdar A, Hayes D, El-Khoudary A, Yan S, Lønning P, Lichinitser M, Gopal R, Falkson G, Pritchard K, Lipton A, Wolter K, Lee A, Fly K, Chew R, Alderdice M, Burke K, Eisenber P; Droloxifene 301 Study Group. Phase III randomized trial of droloxifene and tamoxifen as first-line endocrine treatment of ER/PgR-positive advanced breast cancer. Breast Cancer Res Treat. 2002 May;73(2):161-75. Chinese. Chinese. Review. Chinese. Review.

合成参考文献


摘要:Drugs of the Future., 9(186), 1984
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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