CAS: 917879-39-1; N-((2R)-1,4-Dioxan-2-Ylmethyl)-N-Methyl-N'-[3-(1-Methyl-1H-Pyrazol-4-yl)-5-Oxo-5H-Benzo[4,5]Cyclohepta[1,2-B]Pyridin-7-Yl]Sulfamide
该化合物是化学化合物,主要在药用化学和药物研制方面进行研究,被归类为小分子,并被视为某些生物途径的选择性抑制剂,特别是癌症细胞扩散和存活过程中的抑制剂;该化合物与目标蛋白有特定互动,可能导致细胞过程的调节;MK-2461, 其潜在的治疗应用,特别是肿瘤学,已经受到调查,它可以通过干扰肿瘤生长和提高现有疗法的功效,促进各种癌症的治疗;其药用植物动力特性,包括吸收,分配,代谢和排泄,对于确定其是否适合药物候选体至关重要;与许多调查性化合物一样,正在进行的研究对于充分阐明其行动机制,安全特征和临床环境中的潜在副作用至关重要.
- 英文名称N-((2R)-1,4-Dioxan-2-Ylmethyl)-N-Methyl-N'-[3-(1-Methyl-1H-Pyrazol-4-yl)-5-Oxo-5H-Benzo[4,5]Cyclohepta[1,2-B]Pyridin-7-Yl]Sulfamide
- 中文名称N-[(2R)-1,4-二恶烷-2-基甲基]-N-甲基-N'-[3-(1-甲基-1H-吡唑-4-基)-5-氧代-5H-苯并[4,5]环庚并[1,2-b]吡啶-7-基]硫酸二酰胺
- IUPAC名称N-((2R)-1,4-Dioxan-2-ylmethyl)-N-methyl-N'-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]sulfamide
- CAS编号917879-39-1
- MFCD编号:MFCD11977739
- FDA UNII编号:4200RD53XF
- 分子式:C24H25N5O5S分子量:495.56
- 产品CID: 1955950
- 产品分类生物化工 → 抑制剂 → 蛋白酪氨酸激酶
物理性质
- 熔点192-193 °C
- 沸点732.4±70.0 °C(预测)
- 闪点396.7 °C
- 密度1.45±0.1 g/cm3(预测)
- pKa:6.81±0.20(预测)
- PSA:124.03
- LogP:3.3064
- 溶解性≥24.8 mg/mL In DMSO; Insoluble In H2O; Insoluble In Etoh
- 外观形态淡黄色至黄色固体
- 储存条件储存在 -20°C
- 产品应用该化合物是C-MET(WILD型和变异型)的强大,多目标抑制器,IC50值为0.4-2.5纳米,对RON和FLT1的阻力稍弱;对FGFR1,FG FFR2,FFGR3,PDFFRT,KDR,FLT3,FLT3,4FL4,TRKA和TRKB的抗力为8至30倍,对C-MET(WIRD型,变异和变种)的阻断器.它有效抑制了肿瘤细胞系列的广泛扩散,特别是过分表达MET和FGGFF2. MK2461抑制了肝细胞生长因子(HGF)引发的细胞发源,细胞迁移和在体外分管中分管管管发源的管发酵母变异体(Y362C)32D细胞扩散.在VIVO,MK-24661中显著抑制了GL-16 和NH3T39和TMET39和TIC点的肿瘤增长.
上下游产品
N'-(3-Chloro-5-Oxo-5H-Benzo-[4,5]Cyclohepta[1,2-B]Pyridin-7-yl)-N-[(2R)-1,4-Dioxan-2-Ylmethyl]-N-Methylsulfuric Diamide 917879-37-9合成工艺路线路线简述
- 761446-44-0 + 917879-37-9 = 917879-39-1
反应条件:1.1 Reagents: Potassium Fluoride Catalysts: Tris(Dibenzylideneacetone)Dipalladium,Tri-Tert-Butylphosphonium Tetrafluoroborate Solvents: Dimethylformamide; 3 H,Rt -> 100 °C
标题:Discovery Of A 5H-Benzo[4,5]Cyclohepta[1,2-B]Pyridin-5-One (Mk-2461) Inhibitor Of C-Met Kinase For The Treatment Of Cancer
作者:Katz,Jason D.; Jewell,James P.; Guerin,David J.; Lim,Jongwon; Dinsmore,Christopher J.; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2011 卷标:54(12) 页码:4092-4108]
1173889-20-7 + 917879-37-9 = 917879-39-1
反应条件:1.1 Catalysts: Bis(Tri-Tert-Butylphosphine)Palladium Solvents: Dimethylformamide; 1 H,100 °C
标题:Process Development And Large-Scale Synthesis Of A C-Met Kinase Inhibitor
作者:Stewart,Gavin W.; Brands,Karel M. J.; Brewer,Sarah E.; Cowden,Cameron J.; Davies,Antony J.; Et Al
参考文献:Organic Process Research & Development 日期:2010 卷标:14(4) 页码:849-858
📜3-Chloro-7-[(2,4-Dimethoxybenzyl)Amino]-5H-Benzo[4,5]Cyclohepta[1,2-B]Pyridin-5-One置于potassium Fluoride,Tris-(Dibenzylideneacetone)Dipalladium(0),Caesium Carbonate,4,5-双二苯基膦-9,9-二甲基氧杂蒽,三氟乙酸,Tri Tert-Butylphosphoniumtetrafluoroborate体系中,用 1,4-二氧六环,甲醇,二氯甲烷,N,N-二甲基甲酰胺 作为反应溶剂,化学反应 7.0H,反应生成 N-[(2R)-1,4-二恶烷-2-基甲基]-N-甲基-N'-[3-(1-甲基-1H-吡唑-4-基)-5-氧代-5H-苯并[4,5]环庚并[1,2-B]吡啶-7-基]硫酸二酰胺
参考文献:Discovery Of A 5H-Benzo[4,5]Cyclohepta[1,2-B]Pyridin-5-One (Mk-2461) Inhibitor Of C-Met Kinase For The Treatment Of Cancer
标题:Discovery Of A 5H-Benzo[4,5]Cyclohepta[1,2-B]Pyridin-5-One (Mk-2461) Inhibitor Of C-Met Kinase For The Treatment Of Cancer
摘要:C-Met Is A Transmembrane Tyrosine Kinase That Mediates Activation Of Several Signaling Pathways Implicated In Aggressive Cancer Phenotypes. In Recent Years,Research Into This Area Has Highlighted C-Met As An Attractive Cancer Drug Target,Triggering A Number Of Approaches To Disrupt Aberrant C-Met Signaling. Screening Efforts Identified A Unique Class Of 5H-Benzo[4,5]Cyclohepta[1,2-B]Pyridin-5-One Kinase Inhibitors,Exemplified By 1. Subsequent Sar Studies Led To The Development Of 81 (Mk-2461),A Potent Inhibitor Of C-Met That Was Efficacious In Preclinical Animal Models Of Tumor Suppression. In Addition,Biochemical Studies And X-Ray Analysis Have Revealed That This Unique Class Of Kinase Inhibitors Binds Preferentially To The Activated (Phosphorylated) Form Of The Kinase. This Report Details The Development Of 81 And Provides A Description Of Its Unique Biochemical Properties.
DOI:10.1021/jm200112K
海关参考信息
- 2905122000-异丙醇
2905310000-1,2-乙二醇
2905320000-1,2-丙二醇
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- 详情请参考：📖 海关编码查询和海关进出口税则
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📌 第三方产品分析报告
主要参考文献
1: Pan BS, Chan GK, Chenard M, Chi A, Davis LJ, Deshmukh SV, Gibbs JB, Gil S, Hang G, Hatch H, Jewell JP, Kariv I, Katz JD, Kunii K, Lu W, Lutterbach BA, Paweletz CP, Qu X, Reilly JF, Szewczak AA, Zeng Q, Kohl NE, Dinsmore CJ. MK-2461, a novel multitargeted kinase inhibitor, preferentially inhibits the activated c-Met receptor. Cancer Res. 2010 Feb 15;70(4):1524-33. doi: 10.1158/0008-5472.CAN-09-2541. Epub 2010 Feb 9. 54(12):4092-108. doi: 10.1021/jm200112k. Epub 2011 May 24. 25(16):3251-5. doi: 10.1016/j.bmcl.2015.05.082. Epub 2015 May 31.
合成参考文献
参考文献:10.1021/jm200112k
摘要:Katz JD, Jewell JP, Guerin DJ, Lim J, Dinsmore CJ, Deshmukh SV, Pan BS, Marshall CG, Lu W, Altman MD, Dahlberg WK, Davis L, Falcone D, Gabarda AE, Hang G, Hatch H, Holmes R, Kunii K, Lumb KJ, Lutterbach B, Mathvink R, Nazef N, Patel SB, Qu X, Reilly JF, Rickert KW, Rosenstein C, Soisson SM, Spencer KB, Szewczak AA, Walker D, Wang W, Young J, Zeng Q. Discovery of a 5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-one (MK-2461) inhibitor of c-Met kinase for the treatment of cancer. J Med Chem. 2011 Jun 23;54(12):4092–108. doi: 10.1021/jm200112k.
参考文献:10.1158/0008-5472.can-09-2541
摘要:Pan BS, Chan GK, Chenard M, Chi A, Davis LJ, Deshmukh SV, Gibbs JB, Gil S, Hang G, Hatch H, Jewell JP, Kariv I, Katz JD, Kunii K, Lu W, Lutterbach BA, Paweletz CP, Qu X, Reilly JF, Szewczak AA, Zeng Q, Kohl NE, Dinsmore CJ. MK-2461, a novel multitargeted kinase inhibitor, preferentially inhibits the activated c-Met receptor. Cancer Res. 2010 Feb 15;70(4):1524–33. doi: 10.1158/0008-5472.can-09-2541.
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