CAS: 869363-13-3; 4-((9-Chloro-7-(2,6-Difluorophenyl)-5H-Benzo[c]Pyrimido[4,5-E]Azepin-2-yl)Amino)Benzoic Acid

该化合物是一个复杂的有机化合物,具有独特的结构特征,包括一种[5,4-d][2,2]benzazepine核心和多种功能组;该化合物含有一种苯二甲酸味,有助于其酸性,以及一个可能参与氢联结和其他相互作用的氨基组;氯和二氟联苯的分组的存在表明,有可能发生各种再活动与生物活动,使其对药用化学具有兴趣;其分子结构表明,有可能与生物目标发生相互作用,可能影响药用特性;该化合物的溶性,稳定性和再活性将取决于其具体的功能组和整个分子相.与许多复杂的有机分子一样,了解其特性需要考虑其合成,潜在应用和生物系统中的相互作用.

结构式图片

上下游产品

CAS号869366-03-0 [3-[4-氯-2-(2,6-... | CAS号869366-09-6 8-chloro-1-(2,6... | CAS号869365-92-4 tert-butyl 4-ch... | CAS号869365-97-9 (5-氯-2-碘苯基)(2,6... | CAS号28910-83-0 2-氨基-5-氯-2,6-二氟二苯甲酮 | CAS号18437-66-6 4-氯-(N-B°C)苯胺 | CAS号18063-02-0 2,6-二氟苯甲酰氯

合成工艺路线路线简述

  • 16060-65-4 + 869366-10-9 = 869363-13-3
    反应条件:1.1 Reagents: Potassium Carbonate Solvents: Methanol,Water; 16 H,Reflux; Reflux -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Diethyl Ether,Water; 15 Min,Ph 1,Rt
    标题:Mln8054 And Alisertib (Mln8237): Discovery Of Selective Oral Aurora A Inhibitors
    作者:Sells,Todd B.; Et Al
    参考文献:Acs Medicinal Chemistry Letters 日期:2015 卷标:6(6) 页码:630-634]

    4637-24-5 + 869366-09-6 = 869363-13-3
    反应条件:1.1 Overnight,40 °C1.2 Reagents: Tert-Butyl Methyl Ether; Rt -> 0 °C2.1 Reagents: Potassium Carbonate Solvents: Methanol,Water; 16 H,Reflux; Reflux -> Rt2.2 Reagents: Hydrochloric Acid Solvents: Diethyl Ether,Water; 15 Min,Ph 1,Rt
    标题:Mln8054 And Alisertib (Mln8237): Discovery Of Selective Oral Aurora A Inhibitors
    作者:Sells,Todd B.; Et Al
    参考文献:Acs Medicinal Chemistry Letters 日期:2015 卷标:6(6) 页码:630-634]

    869366-03-0 = 869363-13-3
    反应条件:1.1 Reagents: Hydrochloric Acid Solvents: 1,4-Dioxane,Water; 14 H,Rt; 2 H,Basified,60 °C2.1 Overnight,40 °C2.2 Reagents: Tert-Butyl Methyl Ether; Rt -> 0 °C3.1 Reagents: Potassium Carbonate Solvents: Methanol,Water; 16 H,Reflux; Reflux -> Rt3.2 Reagents: Hydrochloric Acid Solvents: Diethyl Ether,Water; 15 Min,Ph 1,Rt
    标题:Mln8054 And Alisertib (Mln8237): Discovery Of Selective Oral Aurora A Inhibitors
    作者:Sells,Todd B.; Et Al
    参考文献:Acs Medicinal Chemistry Letters 日期:2015 卷标:6(6) 页码:630-634]

    28910-83-0 = 869363-13-3
    反应条件:1.1 Reagents: Acetic Acid,Sodium Nitrite,Hydrochloric Acid Solvents: Water; 1 H,< 9 °C; 30 Min,< 9 °C1.2 Solvents: Ethyl Acetate; 5 Min,Cooled1.3 Reagents: Potassium Iodide Solvents: Water; 1.25 H,< 9 °C; 1.5 H,9 °C -> Rt2.1 Reagents: Triethylamine Catalysts: Cuprous Iodide,Dichlorobis(Triphenylphosphine)Palladium Solvents: Dichloromethane; Rt -> 0 °C; 0 °C; 0 °C -> Rt; 8 H,Rt3.1 Reagents: Hydrochloric Acid Solvents: 1,4-Dioxane,Water; 14 H,Rt; 2 H,Basified,60 °C4.1 Overnight,40 °C4.2 Reagents: Tert-Butyl Methyl Ether; Rt -> 0 °C5.1 Reagents: Potassium Carbonate Solvents: Methanol,Water; 16 H,Reflux; Reflux -> Rt5.2 Reagents: Hydrochloric Acid Solvents: Diethyl Ether,Water; 15 Min,Ph 1,Rt
    标题:Mln8054 And Alisertib (Mln8237): Discovery Of Selective Oral Aurora A Inhibitors
    作者:Sells,Todd B.; Et Al
    参考文献:Acs Medicinal Chemistry Letters 日期:2015 卷标:6(6) 页码:630-634]

    28910-83-0 = 869363-13-3
    反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Acetic Acid,Water; Rt -> 0 °C1.2 Reagents: Sodium Nitrite Solvents: Water; 0 - 5 °C; 30 Min,0 °C1.3 Solvents: Ethyl Acetate; 0 °C; 20 Min,0 °C1.4 Reagents: Potassium Iodide Catalysts: Iodine Solvents: Water; 0 °C; 0 °C -> Rt; 1 H,Rt2.1 Reagents: Diethylamine Catalysts: Cuprous Iodide,Dichlorobis(Triphenylphosphine)Palladium Solvents: Dichloromethane; 16 H,Rt3.1 Reagents: Sulfuric Acid Solvents: Dichloromethane; 0 °C; 4 H,0 °C3.2 Reagents: Ammonium Hydroxide Solvents: Water; Neutralized,Cooled4.1 Solvents: Toluene; 4 H,80 °C5.1 Reagents: Potassium Carbonate Solvents: Ethanol; 14 H,Reflux; Cooled5.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 3,Cooled
    标题:Bioorthogonal Imaging Of Aurora Kinase A In Live Cells
    作者:Yang,Katherine S.; Et Al
    参考文献:Angewandte Chemie 日期:2012 卷标:51(27) 页码:6598-6603]

    1393381-43-5 + 42823-46-1 = 869363-13-3
    反应条件:1.1 Reagents: Potassium Carbonate Solvents: Ethanol; 14 H,Reflux; Cooled1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 3,Cooled
    标题:Bioorthogonal Imaging Of Aurora Kinase A In Live Cells
    作者:Yang,Katherine S.; Et Al
    参考文献:Angewandte Chemie 日期:2012 卷标:51(27) 页码:6598-6603]

    4637-24-5 + 869366-09-6 = 869363-13-3
    反应条件:1.1 Solvents: Toluene; 4 H,80 °C2.1 Reagents: Potassium Carbonate Solvents: Ethanol; 14 H,Reflux; Cooled2.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 3,Cooled
    标题:Bioorthogonal Imaging Of Aurora Kinase A In Live Cells
    作者:Yang,Katherine S.; Et Al
    参考文献:Angewandte Chemie 日期:2012 卷标:51(27) 页码:6598-6603]

    869366-03-0 = 869363-13-3
    反应条件:1.1 Reagents: Sulfuric Acid Solvents: Dichloromethane; 0 °C; 4 H,0 °C1.2 Reagents: Ammonium Hydroxide Solvents: Water; Neutralized,Cooled2.1 Solvents: Toluene; 4 H,80 °C3.1 Reagents: Potassium Carbonate Solvents: Ethanol; 14 H,Reflux; Cooled3.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 3,Cooled
    标题:Bioorthogonal Imaging Of Aurora Kinase A In Live Cells
    作者:Yang,Katherine S.; Et Al
    参考文献:Angewandte Chemie 日期:2012 卷标:51(27) 页码:6598-6603]

    92136-39-5 + 869365-97-9 = 869363-13-3
    反应条件:1.1 Reagents: Triethylamine Catalysts: Cuprous Iodide,Dichlorobis(Triphenylphosphine)Palladium Solvents: Dichloromethane; Rt -> 0 °C; 0 °C; 0 °C -> Rt; 8 H,Rt2.1 Reagents: Hydrochloric Acid Solvents: 1,4-Dioxane,Water; 14 H,Rt; 2 H,Basified,60 °C3.1 Overnight,40 °C3.2 Reagents: Tert-Butyl Methyl Ether; Rt -> 0 °C4.1 Reagents: Potassium Carbonate Solvents: Methanol,Water; 16 H,Reflux; Reflux -> Rt4.2 Reagents: Hydrochloric Acid Solvents: Diethyl Ether,Water; 15 Min,Ph 1,Rt
    标题:Mln8054 And Alisertib (Mln8237): Discovery Of Selective Oral Aurora A Inhibitors
    作者:Sells,Todd B.; Et Al
    参考文献:Acs Medicinal Chemistry Letters 日期:2015 卷标:6(6) 页码:630-634]

    92136-39-5 + 869365-97-9 = 869363-13-3
    反应条件:1.1 Reagents: Diethylamine Catalysts: Cuprous Iodide,Dichlorobis(Triphenylphosphine)Palladium Solvents: Dichloromethane; 16 H,Rt2.1 Reagents: Sulfuric Acid Solvents: Dichloromethane; 0 °C; 4 H,0 °C2.2 Reagents: Ammonium Hydroxide Solvents: Water; Neutralized,Cooled3.1 Solvents: Toluene; 4 H,80 °C4.1 Reagents: Potassium Carbonate Solvents: Ethanol; 14 H,Reflux; Cooled4.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 3,Cooled
    标题:Bioorthogonal Imaging Of Aurora Kinase A In Live Cells
    作者:Yang,Katherine S.; Et Al
    参考文献:Angewandte Chemie 日期:2012 卷标:51(27) 页码:6598-6603]

    869365-92-4 = 869363-13-3
    反应条件:1.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; 0 °C; 1 H,Rt2.1 Reagents: Hydrochloric Acid Solvents: Acetic Acid,Water; Rt -> 0 °C2.2 Reagents: Sodium Nitrite Solvents: Water; 0 - 5 °C; 30 Min,0 °C2.3 Solvents: Ethyl Acetate; 0 °C; 20 Min,0 °C2.4 Reagents: Potassium Iodide Catalysts: Iodine Solvents: Water; 0 °C; 0 °C -> Rt; 1 H,Rt3.1 Reagents: Diethylamine Catalysts: Cuprous Iodide,Dichlorobis(Triphenylphosphine)Palladium Solvents: Dichloromethane; 16 H,Rt4.1 Reagents: Sulfuric Acid Solvents: Dichloromethane; 0 °C; 4 H,0 °C4.2 Reagents: Ammonium Hydroxide Solvents: Water; Neutralized,Cooled5.1 Solvents: Toluene; 4 H,80 °C6.1 Reagents: Potassium Carbonate Solvents: Ethanol; 14 H,Reflux; Cooled6.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 3,Cooled
    标题:Bioorthogonal Imaging Of Aurora Kinase A In Live Cells
    作者:Yang,Katherine S.; Et Al
    参考文献:Angewandte Chemie 日期:2012 卷标:51(27) 页码:6598-6603]

    18063-02-0 + 18437-66-6 = 869363-13-3
    反应条件:1.1 Reagents: Tert-Butyllithium Solvents: Dichloromethane,Pentane; 20 Min,-78 °C; 30 Min,-78 °C; -78 °C -> -30 °C; 2.5 H,-30 °C; -30 °C -> -78 °C1.2 Solvents: Tetrahydrofuran; 30 Min,-78 °C; 20 Min,-78 °C1.3 Reagents: Hydrochloric Acid Solvents: Water2.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; 0 °C; 1 H,Rt3.1 Reagents: Hydrochloric Acid Solvents: Acetic Acid,Water; Rt -> 0 °C3.2 Reagents: Sodium Nitrite Solvents: Water; 0 - 5 °C; 30 Min,0 °C3.3 Solvents: Ethyl Acetate; 0 °C; 20 Min,0 °C3.4 Reagents: Potassium Iodide Catalysts: Iodine Solvents: Water; 0 °C; 0 °C -> Rt; 1 H,Rt4.1 Reagents: Diethylamine Catalysts: Cuprous Iodide,Dichlorobis(Triphenylphosphine)Palladium Solvents: Dichloromethane; 16 H,Rt5.1 Reagents: Sulfuric Acid Solvents: Dichloromethane; 0 °C; 4 H,0 °C5.2 Reagents: Ammonium Hydroxide Solvents: Water; Neutralized,Cooled6.1 Solvents: Toluene; 4 H,80 °C7.1 Reagents: Potassium Carbonate Solvents: Ethanol; 14 H,Reflux; Cooled7.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 3,Cooled
    标题:Bioorthogonal Imaging Of Aurora Kinase A In Live Cells
    作者:Yang,Katherine S.; Et Al
    参考文献:Angewandte Chemie 日期:2012 卷标:51(27) 页码:6598-6603
📜(5-氯-2-碘苯基) 2,6-二氟苯甲烷置于bis-Triphenylphosphine-Palladium(II) Chloride,Copper(L) Iodide,硫酸,Potassium Carbonate体系中,用 乙醇,二氯甲烷,甲苯 作为反应溶剂,化学反应 34.5H,反应生成 4-[[9-氯-7-(2,6-二氟苯基)-5H-嘧啶并[5,4-D][2]苯并氮杂卓-2-基]氨基]苯甲酸
参考文献:活细胞中极光激酶 A 的生物正交成像
标题:活细胞中极光激酶 A 的生物正交成像
摘要:活体颜色:使用小分子 Aka 抑制剂(见方案)和荧光报告基因的生物正交两步反应,在活细胞中对极光激酶 A (Aka) 进行成像.荧光分子在中期定位于纺锤体极和微管,与标记 Aka 的内源性和绿色荧光蛋白的定位一致.通过使用这种方法,还观测到了有丝分裂过程中 Aka 分布的变化.
DOI:10.1002/anie.201200994

海关参考信息

专利信息


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-11649285-B2
优先权日:2016-08-03
标题 :Identification of VSIG3/VISTA as a novel immune checkpoint and use thereof for immunotherapy
发明人:KALABOKIS VASSILIOS; WANG JINGHUA; WU GUOPING; BAZAN JOSE FERNANDO; VALLEY CHRISTOPHER CARLIN
权利人:BIO TECHNE CORP
摘要:The ligand for VISTA is identified (VSIG3) as well as the use of this ligand and receptor interaction in the identification or synthesis of a VSIG3 agonist or antagonist compounds, preferably antibodies, polypeptides and fusion proteins which agonize or antagonize the effects of VSIG3 and/or VISTA and/or the VSIG3/VISTA interaction. These antagonists may be used to suppress VSIG3/VISTA's suppressive effects on T cell immunity, and more particularly used in the treatment of cancer, or infectious disease. These agonist compounds may be used to potentiate or enhance VSIG3/VISTA's suppressive effects on T cell immunity and thereby suppress T cell immunity, such as in the treatment of autoimmunity, allergy or inflammatory conditions. Screening assays for identifying these agonists and antagonist compounds are also provided.

专利号:US-2025289827-A1
优先权日:2022-12-02
标 题:Morphic forms of a mutant braf degrader and methods of manufacture thereof
发明人:YU ROBERT T; HE MINSHENG; SCHNADERBECK MATTHEW J; KREGER BRIDGET; POLLOCK ROY MACFARLANE; JIANG SIYI; LI MEIQI; CHEN BOLU; LU JIANNAN
权利人:C4 THERAPEUTICS INC
摘要:Advantageous isolated morphic forms of (3R)-3-[6-[2-cyano-3-[[ethyl(methyl)sulfamoyl]amino]-6-fluorophenoxy]-4-oxoquinazolin-3-yl]-8-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-5-fluoro-1-methylindazol-6-yl]-4-hydroxypiperidin-4-yl]acetyl]-1-oxa-8-azaspiro[4.5]decane (Compound 1), which is a mutant BRAF degrader, and methods to prepare Compound 1 morphic forms for therapeutic applications are provided in the invention. The invention also provides improved methods for the synthesis of Compound 1, new pharmaceutical compositions comprising Compound 1, and new uses of Compound 1.

专利号:US-9365532-B1
优先权日:2011-02-14
标题:Synthesis, composition and use of novel therapeutic and cosmetic Schiff base products formed by reaction of a carbonyl containing moeity with a transimination nucleophilic catalyst and the use of transimination nucleophilic catalysts to increase the rate at which carbonyl containing therapeutic and cosmetic actives form Schiff base products with biological amines
发明人:ISAACMAN STEVEN
权利人:ISAACMAN STEVEN; NANOMETICS LLC
摘要:The present invention relates to the synthesis, composition and use of novel moieties formed by reacting a transimination nucleophilic catalyst, molecular or polymeric, with carbonyl-containing therapeutic or cosmetic moieties. The resultant Schiff base product is highly reactive towards transimination with a biological amine. The catalyst and carbonyl-containing moiety can be molecular or polymeric, and the resultant chemical and physical properties of the Schiff base products can be engineered by appropriate selection of said catalyst. The present invention also relates to the synthesis, composition and use of novel moieties that are used as actives in sunless tanning preparations. The present invention also relates to the use of transimination nucleophilic catalysts to increase the rate at which a carbonyl-containing moiety reacts with a biological amine. The present invention also relates to the use of transimination nucleophilic catalysts to increase the rate and efficacy of commercial sunless tanning preparations. Improvements on stability and efficacy of said preparations are disclosed. While the invention has been described in terms of its preferred embodiments, those skilled in the art will recognize that the invention can be practiced with modification within the spirit and scope of the appended claims. Accordingly, the present invention should not be limited to the embodiments as described above, but should further include all modifications and equivalents thereof within the spirit and scope of the description provided herein.

专利号:US-2019031650-A1
优先权日:2016-01-29
标 题 :Dna alkylation and cross-linking agents as compounds and payloads for targeted therapies
发明人:HERZON SETH; HEALY ALAN; CRAWFORD JASON; VIZCAINO MARIA; NIKOLAYEVSKIY HERMAN
权利人:UNIV YALE
摘要:The present invention is directed to compounds related to precolibactin pharmaceutical compositions based upon these compounds and methods of synthesis which are employed to provide intermediates and final compounds, which are principally alkylating agents and anticancer compounds. The chemical synthetic approach disclosed facilitates the synthesis of numerous precolibactin analogs which can be used in the treatment of cancer.

专利号:US-12054512-B2
优先权日:2017-11-10
标 题 :Sting modulator compounds, and methods of making and using
发明人:VYSKOCIL STEPAN; CIAVARRI JEFFREY; CULLIS COURTNEY; ENGLAND DYLAN BRADLEY; GOULD ALEXANDRA E; GREENSPAN PAUL; HU YONGBO; LANGSTON STEVEN; LI GANG; MIZUTANI HIROTAKE; OKANIWA MASANORI
权利人:TAKEDA PHARMACEUTICALS CO
摘要:The present disclosure provides STING modulators/agonists, and methods of synthesis and methods for using for the prophylaxis or treatment of cancer and other STING-related diseases.The present disclosure relates to a compound represented by the Formula (I):wherein each symbol is as defined in the description, or a pharmaceutically acceptable salt thereof.

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品牌试剂参考报价(招募中)

📌 第三方产品分析报告

✅ COA系统入驻 | 共享模式

主要参考文献


1: Sells TB, Chau R, Ecsedy JA, Gershman RE, Hoar K, Huck J, Janowick DA, Kadambi VJ, LeRoy PJ, Stirling M, Stroud SG, Vos TJ, Weatherhead GS, Wysong DR, Zhang M, Balani SK, Bolen JB, Manfredi MG, Claiborne CF. MLN8054 and Alisertib (MLN8237): Discovery of Selective Oral Aurora A Inhibitors. ACS Med Chem Lett. 2015 Apr 22;6(6):630-4. doi: 10.1021/ml500409n.
2: Yang Y, Shen Y, Li S, Jin N, Liu H, Yao X. Molecular dynamics and free energy studies on Aurora kinase A and its mutant bound with MLN8054: insight into molecular mechanism of subtype selectivity. Mol Biosyst. 2012 Nov;8(11):3049-60. doi: 10.1039/c2mb25217a. Epub 2012 Sep 18. 80(4):1189-97. doi: 10.1016/j.ijrobp.2011.01.060. Epub 2011 Apr 20. 71(3):675-85. doi: 10.1158/0008-5472.CAN-10-1030. Epub 2010 Dec 10. 9(10):2844-52. doi: 10.1158/1535-7163.MCT-10-0299. Epub 2010 Aug 19. 67(4):945-54. doi: 10.1007/s00280-010-1377-y. Epub 2010 Jul 7.
7: Sloane DA, Trikic MZ, Chu ML, Lamers MB, Mason CS, Mueller I, Savory WJ, Williams DH, Eyers PA. Drug-resistant aurora A mutants for cellular target validation of the small molecule kinase inhibitors MLN8054 and MLN8237. ACS Chem Biol. 2010 Jun 18;5(6):563-76. doi: 10.1021/cb100053q. 8(3):373-84. doi: 10.1158/1541-7786.MCR-09-0300. Epub 2010 Mar 2. 427(1):19-28. doi: 10.1042/BJ20091530. Erratum in: Biochem J. 2010;427(3):551. 27(12):4513-25. doi: 10.1128/MCB.02364-06. Epub 2007 Apr 16.

合成参考文献


参考文献:10.1007/s11912-008-0020-0
摘要:Warner SL, Stephens BJ, Von Hoff DD. Tubulin-associated proteins: Aurora and Polo-like kinases as therapeutic targets in cancer. Curr Oncol Rep. 2008 Mar;10(2):122–9. doi: 10.1007/s11912-008-0020-0.
参考文献:10.1007/s00018-020-03614-8
摘要:Nehlig A, Seiler C, Steblyanko Y, Dingli F, Arras G, Loew D, Welburn J, Prigent C, Barisic M, Nahmias C. Reciprocal regulation of Aurora kinase A and ATIP3 in the control of metaphase spindle length. Cellular and Molecular Life Sciences. 2020 Aug 13;78(4):1765–79. doi: 10.1007/s00018-020-03614-8.
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