CAS: 918505-84-7; N-(3-(5-Chloro-1H-Pyrrolo[2,3-B]Pyridine-3-Carbonyl)-2,4-Difluorophenyl)Propane-1-Sulfonamide
该化合物是一种合成有机化合物,其结构复杂,包括一种磺酰胺功能组,一种闪光虫和多种氟替代物.该化合物通常具有诸如对磺酰胺具有常见性的极地溶剂的高溶性等特性,并可能因其结构特征而显示生物活动.由于所有化学物质具有毒性和环境影响,因此其存在可影响其与生物目标的再活动及互动,从而有可能加强其药理学特征.作为磺酰胺,它也可能表现出抗菌特性.尽管具体的生物活动将取决于进一步的经验研究.该化合物的分子结构表明,在医药化学中,特别是在研制有针对性的疗法方面,可能具有潜在用途.应当遵守安全和处理预防措施,因为所有化学物质都具有毒性和环境影响.
- 英文名称N-(3-(5-Chloro-1H-Pyrrolo[2,3-B]Pyridine-3-Carbonyl)-2,4-Difluorophenyl)Propane-1-Sulfonamide
- 中文名称N-[3-[(5-氯-1H-吡咯并[2,3-b]吡啶-3-基)羰基]-2,4-二氟苯基]-1-丙磺酰胺
- IUPAC名称N-(3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide
- 其它别名N-[3-(5-Chloro-7-Azaindole-3-Carbonyl)-2,4-Difluorophenyl]Propane-1-Sulfonamide; N-[3-(5-Chloro-1H-Pyrrolo[2,3-B]Pyridine-3-Carbonyl)-2,4-Difluorophenyl]Propane-1-Sulfonamide; Propane-1-Sulfonic Acid [3-(5-Chloro-1H-Pyrrolo[
- CAS编号918505-84-7
- MFCD编号:MFCD14635203
- FDA UNII编号:EQY31RO8HA
- 分子式:C17H14ClF2N3O3S
- 分子量:413.83
- 产品CID: 1956674
- 产品分类生物化工 → 抑制剂 → 丝裂原活化蛋白激酶(MAPK)
物理性质
- 熔点230-233°C
- 沸点621.4±65.0 °C at 760 mmHg
- 闪点329.6±34.3 °C
- 密度1.5±0.1 g/cm3
- pKa:6.20±0.10(预测)
- PSA:100.3
- LogP:3.14
- 折射率1.646
- 蒸汽压0.0±1.8 mmHg at 25°C
- 溶解性DMSO (Slightly), Methanol (Slightly, Heated)
- 外观形态白色至类白色橙黄色固体
- 储存条件+2C to +8C
- 产品应用该化合物用作治疗B-RAFV600变异中存放的癌症;它显著抑制B-RAFV 600E阳性肿瘤细胞线(如COLO205,A375,WM2664,COLOL829)中的ERK磷酸盐和细胞扩散,包括严重的肿瘤回归和抑制肺转移;其抗癌效应与MAPK信号路径的阻塞有关.
上下游产品
N-(3-((5-chloro-1H-pyrrolo[2,3-b]pyridine-3-yl)(hydroxyl)methyl)2,4-difluorophenyl)propane-1-sulfonamide N-(3,5-difluorophenyl)propane-1-sulfonamide 2,4-difluorophenylamine合成工艺路线路线简述
- 1021854-28-3 = 918505-84-7
反应条件:1.1 Reagents: 2,3-Dichloro-5,6-Dicyano-1,4-Benzoquinone Solvents: 1,4-Dioxane,Water; 2 H,Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water
标题:Discovery Of A Selective Inhibitor Of Oncogenic B-Raf Kinase With Potent Antimelanoma Activity
作者:Tsai,James; Lee,John T.; Wang,Weiru; Zhang,Jiazhong; Cho,Hanna; Et Al
参考文献:Proceedings Of The National Academy Of Sciences Of The United States Of America 日期:2008 卷标:105(8) 页码:3041-3046]
= 918505-84-7 [标题:Reaction Conditions
标题:Pyrrolo[2,3-B]Pyridine Derivatives As Protein Kinase Inhibitors And Their Preparation,Pharmaceutical Compositions And Use In The Treatment Of Diseases
参考文献:World Intellectual Property Organization]
1021854-28-3 = 918505-84-7
反应条件:1.1 Reagents: 2,3-Dichloro-5,6-Dicyano-1,4-Benzoquinone Solvents: 1,4-Dioxane,Water; Rt; 10 Min,100 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water
标题:Rapid,Microwave-Assisted Organic Synthesis Of Selective V600Ebraf Inhibitors For Preclinical Cancer Research
作者:Buck,Jason R.; Saleh,Sam; Imam Uddin,Md.; Manning,H. Charles
参考文献:Tetrahedron Letters 日期:2012 卷标:53(32) 页码:4161-4165]
= 918505-84-7 [标题:Reaction Conditions
标题:Preparation Of Conjugate Compounds For The Degradation Of Raf
参考文献:World Intellectual Property Organization]
= 918505-84-7 [标题:Reaction Conditions
标题:Preparation Of 1H-Pyrrolo[2,3-B]Pyridines As Selective Mkk4 Kinase Inhibitors For Promoting Liver Regeneration Or Reducing Or Preventing Hepatocyte Death
参考文献:World Intellectual Property Organization
海关参考信息
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2912210000-苯甲醛
2933310010-吡啶
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专利信息
专利号:US-11612610-B2
优先权日:2018-12-14
标题:Mito-magnolol compounds and methods of synthesis and use thereof
发明人：KALYANARAMAN BALARAMAN; ZIELONKA JACEK MICHAL; CHENG GANG; HARDY MICAEL JOËL; OUARI OLIVIER
权利人:MEDICAL COLLEGE WISCONSIN INC; AIX MARSEILLE UNIV; MEDICAL COLLEGE OF WISCONSIN INC
摘要:The present invention provides mito-magnolol compounds, pharmaceutical compositions thereof, and methods of using the mito-magnolol compounds in the treatment of cancer, especially anti-cancer therapy or kinase resistant cancers.
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-2022259212-A1
优先权日:2019-07-11
标题:Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase
发明人：BOSS CHRISTOPH; CREN SYLVAINE; KIMMERLIN THIERRY; LOTZ-JENNE CARINA; POTHIER JULIEN; TIDTEN-LUKSCH NAOMI
权利人:IDORSIA PHARMACEUTICALS LTD
摘要:The present invention relates to compounds of Formula (I) inhibiting indoleamine 2,3-dioxygenase (IDO) and/or tryptophan 2,3-dioxygenase (TDO) enzymes. Further, their synthesis and their use as medicaments in the treatment of inter alia cancer is disclosed.
专利号:US-11897910-B2
优先权日:2015-06-11
标 题:Mito-honokiol compounds and methods of synthesis and use thereof
发明人：KALYANARAMAN BALARAMAN; ZIELONKA JACEK MICHAL; CHENG GANG; HARDY MICAEL J; OUARI OLIVIER; YOU MING
权利人:MEDICAL COLLEGE WISCONSIN INC; AIX MARSEILLE UNIV
摘要:The present invention provides mito-honokiol or mito-magnolol compounds, pharmaceutical compositions thereof, and methods of using the mito-honokiol or mito-magnolol compounds in the treatment of cancer.
专利号:US-11267824-B2
优先权日:2017-08-17
标 题:Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase
发明人：BOSS CHRISTOPH; BUR DANIEL; CREN SYLVAINE; KIMMERLIN THIERRY; LOTZ-JENNE CARINA; POTHIER JULIEN; TIDTEN-LUKSCH NAOMI
权利人:IDORSIA PHARMACEUTICALS LTD
摘要:The present invention relates to compounds of Formula (I) inhibiting indoleamine 2,3-dioxygenase (IDO) and/or tryptophan 2,3-dioxygenase (TDO) enzymes. Further, their synthesis and their use as medicaments in inter alia cancer is disclosed.
专利号:WO-2024102342-A1
优先权日:2022-11-10
标 题 :Combination of a glutathione synthesis inhibitor such as buthionine sulphoximine and an immune checkpoint inhibitor, preferably pembrolizumab, to treat cancer, preferably drug-resistant melanoma
发明人：SCHULTZ MICHAEL K; KAPOOR SOMYA; SPITZ DOUGLAS R
权利人:UNIV IOWA RES FOUND
摘要:The present invention relates to a process of removing free-unlabeled radionuclides from a radiopharmaceutical prior to administering the radiopharmaceutical to the patient using size-exclusion or ion-exchange mechanisms.
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主要参考文献
1: Kamata T, Dankort D, Kang J, Giblett S, Pritchard CA, McMahon M, Leavitt AD. Hematopoietic expression of oncogenic BRAF promotes aberrant growth of monocyte-lineage cells resistant to PLX4720. Mol Cancer Res. 2013 Dec;11(12):1530-41. doi: 10.1158/1541-7786.MCR-13-0294. Epub 2013 Oct 23.
2: Eum KH, Ahn SK, Kang H, Lee M. Differential inhibitory effects of two Raf-targeting drugs, sorafenib and PLX4720, on the growth of multidrug-resistant cells. Mol Cell Biochem. 2013 Jan;372(1-2):65-74. doi: 10.1007/s11010-012-1446-0. Epub 2012 Sep 2. doi: 10.1038/cdd.2012.94. Epub 2012 Aug 3.
4: Oikonomou E, Koc M, Sourkova V, Andera L, Pintzas A. Selective BRAFV600E inhibitor PLX4720, requires TRAIL assistance to overcome oncogenic PIK3CA resistance. PLoS One. 2011;6(6):e21632. doi: 10.1371/journal.pone.0021632. Epub 2011 Jun 27.
合成参考文献
摘要:Mérour, J.-Y.; Joseph, B., Science of Synthesis Knowledge Updates, (2016) 3, 414.
参考文献:10.1172/jci70156
摘要:Anastas JN, Kulikauskas RM, Tamir T, Rizos H, Long GV, von Euw EM, Yang PT, Chen HW, Haydu L, Toroni RA, Lucero OM, Chien AJ, Moon RT. WNT5A enhances resistance of melanoma cells to targeted BRAF inhibitors. J Clin Invest. 2014 Jul;124(7):2877–90.
参考文献:10.1016/j.surg.2015.06.046
摘要:Varmeh S, Vanden Borre P, Gunda V, Brauner E, Holm T, Wang Y, Sadreyev RI, Parangi S. Genome-wide analysis of differentially expressed miRNA in PLX4720-resistant and parental human thyroid cancer cell lines. Surgery. 2016 Jan;159(1):152–62.
参考文献:10.1371/journal.pone.0140310
摘要:Friedman AA, Amzallag A, Pruteanu-Malinici I, Baniya S, Cooper ZA, Piris A, Hargreaves L, Igras V, Frederick DT, Lawrence DP, Haber DA, Flaherty KT, Wargo JA, Ramaswamy S, Benes CH, Fisher DE. Landscape of Targeted Anti-Cancer Drug Synergies in Melanoma Identifies a Novel BRAF-VEGFR/PDGFR Combination Treatment. PLoS ONE. 2015 Oct 13;10(10):e0140310. doi: 10.1371/journal.pone.0140310.
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