CAS: 835621-07-3; 4-(4-(3-(4-Chloro-3-(Trifluoromethyl)Phenyl)Ureido)-3-Fluorophenoxy)-N-Methylpicolinamide Hydrochloride

该化合物是小分子细胞抑制剂,主要用于治疗异丙癌,胃肠肿瘤和肝细胞癌.它通过针对肿瘤血管产生,发源和肿瘤微环境的多股动脉途径发挥作用.盐分形式可以提高溶解性和生物利用率,确保药物动力性能的一致性.关键优势包括它针对VEGFR,PDGFR,FGFR和其他动脉的广谱抑制活动,这有助于其抗抗药性或耐药性案例的功效.其特性精细的稳定性和与标准配方的兼容性使其适合临床应用.严格的质量控制确保高纯度和批量到批量的一致性.

英文名称4-(4-(3-(4-Chloro-3-(Trifluoromethyl)Phenyl)Ureido)-3-Fluorophenoxy)-N-Methylpicolinamide Hydrochloride
中文名称盐酸瑞格非尼
IUPAC名称4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)-3-fluorophenoxy)-N-methylpicolinamide hydrochloride
其它别名Regorafenib Hydrochloride; Regorafenib Hcl; Regorafenib (Hydrochloride); 4-(4-(3-(4-Chloro-3-(Trifluoromethyl)Phenyl)Ureido)-3-Fluorophenoxy)-N-Methylpicolinamide Hydrochloride; 4-[4-[[4-Chloro-3-(Trifluoromethyl)Phenyl]Ca
CAS编号835621-07-3
MFCD编号:MFCD22417053
分子式:C21H16Cl2F4N4O3
分子量:519.28
产品CID: 1824220
产品分类生物化工 → 生化试剂 → 激动剂抑制剂

相似结构搜索
InChIKey: ACSWJKPZXNIVMY-UHFFFAOYSA-N
ACSWJKPZXNIVMY-UHFFFAOYSA-N…
计算化学: 氢键受体数8.0氢键供体数4.0可旋转键数5.0

物理性质

PSA:95.84
LogP:6.9683
溶解性≥ 25.95 mg/mL In DMSO, ≥ 8.75 mg/mL In Etoh With Ultrasonic And Warming
外观形态白色至类白色粉末
储存条件储存在 -20°C
产品应用该化合物用作中间药剂.

上下游产品

CAS号755037-03-7 瑞格非尼 | CAS号394-41-2 3-氟-4-硝基苯酚 | CAS号399-95-1 4-氨基-3-氟苯酚 | CAS号757251-39-1 4-(4-氨基-3-氟苯氧基)...

合成工艺路线路线简述

合成目标产物 Regorafenib (Hydrochloride) 主要起始原料 Regorafenib
327-78-6 + 757251-39-1 = 835621-07-3
反应条件:1.1 Solvents: Tetrahydrofuran; Rt; 2 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Methanol,Water; Rt; 1 H,Rt
标题:Synthesis Of Regorafenib
作者:Zheng,Deqiang; Et Al
参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2016 卷标:47(5) 页码:528-530]

220000-87-3 + 1338722-52-3 = 835621-07-3
反应条件:1.1 Reagents: Potassium Tert-Butoxide Solvents: Dimethylacetamide; 100 - 110 °C; 2 H,100 - 110 °C; 1 H,100 - 110 °C2.1 Reagents: Acetic Acid Solvents: Toluene,Water; 2 H,100 - 110 °C; 110 °C -> 0 °C; 2 H,0 °C3.1 Solvents: Tetrahydrofuran; Rt; 2 H,Rt3.2 Reagents: Hydrochloric Acid Solvents: Methanol,Water; Rt; 1 H,Rt
标题:Synthesis Of Regorafenib
作者:Zheng,Deqiang; Et Al
参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2016 卷标:47(5) 页码:528-530]

394-41-2 = 835621-07-3
反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethyl Acetate; 2 H,0.2 Mpa,< 40 °C2.1 Reagents: Methyl Isobutyl Ketone; 2 H,Rt -> Reflux; Reflux -> 100 °C2.2 Reagents: Potassium Tert-Butoxide Solvents: Dimethylacetamide; 100 - 110 °C; 2 H,100 - 110 °C; 1 H,100 - 110 °C2.3 Reagents: Acetic Acid Solvents: Toluene,Water; 2 H,100 - 110 °C; 110 °C -> 0 °C; 2 H,0 °C3.1 Solvents: Tetrahydrofuran; Rt; 2 H,Rt3.2 Reagents: Hydrochloric Acid Solvents: Methanol,Water; Rt; 1 H,Rt
标题:Synthesis Of Regorafenib
作者:Zheng,Deqiang; Et Al
参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2016 卷标:47(5) 页码:528-530]

399-95-1 + 220000-87-3 = 835621-07-3
反应条件:1.1 Reagents: Methyl Isobutyl Ketone; 2 H,Rt -> Reflux; Reflux -> 100 °C1.2 Reagents: Potassium Tert-Butoxide Solvents: Dimethylacetamide; 100 - 110 °C; 2 H,100 - 110 °C; 1 H,100 - 110 °C1.3 Reagents: Acetic Acid Solvents: Toluene,Water; 2 H,100 - 110 °C; 110 °C -> 0 °C; 2 H,0 °C2.1 Solvents: Tetrahydrofuran; Rt; 2 H,Rt2.2 Reagents: Hydrochloric Acid Solvents: Methanol,Water; Rt; 1 H,Rt
标题:Synthesis Of Regorafenib
作者:Zheng,Deqiang; Et Al
参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2016 卷标:47(5) 页码:528-530]

= 835621-07-3
反应条件:1.1 Reagents: Acetic Acid Solvents: Toluene,Water; 2 H,100 - 110 °C; 110 °C -> 0 °C; 2 H,0 °C2.1 Solvents: Tetrahydrofuran; Rt; 2 H,Rt2.2 Reagents: Hydrochloric Acid Solvents: Methanol,Water; Rt; 1 H,Rt
标题:Synthesis Of Regorafenib
作者:Zheng,Deqiang; Et Al
参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2016 卷标:47(5) 页码:528-530]

399-95-1 = 835621-07-3
反应条件:1.1 2 H,Rt -> Reflux2.1 Reagents: Potassium Tert-Butoxide Solvents: Dimethylacetamide; 100 - 110 °C; 2 H,100 - 110 °C; 1 H,100 - 110 °C3.1 Reagents: Acetic Acid Solvents: Toluene,Water; 2 H,100 - 110 °C; 110 °C -> 0 °C; 2 H,0 °C4.1 Solvents: Tetrahydrofuran; Rt; 2 H,Rt4.2 Reagents: Hydrochloric Acid Solvents: Methanol,Water; Rt; 1 H,Rt
标题:Synthesis Of Regorafenib
作者:Zheng,Deqiang; Et Al
参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2016 卷标:47(5) 页码:528-530

瑞格菲尼置于盐酸体系中,用四氢呋喃,1,4-二氧六环作为反应溶剂,以79%的收率获得产物瑞戈非尼盐酸盐
参考文献: Synthetic Metabolites Of Fluoro Substituted Omega-Carboxyaryl Diphenyl Urea For The Treatment And Prevention Diseases And Conditions[fr] Métabolites Synthétiques D'Oméga-Carboxyaryldiphénylurées Fluorosubstituées Pour Le Traitement Et La Prévention De Maladies Et D'états
标题: Synthetic Metabolites Of Fluoro Substituted Omega-Carboxyaryl Diphenyl Urea For The Treatment And Prevention Diseases And Conditions[fr] Métabolites Synthétiques D'Oméga-Carboxyaryldiphénylurées Fluorosubstituées Pour Le Traitement Et La Prévention De Maladies Et D'états
摘要:化合物i的合成代谢物;其盐,前药,含有这些合成代谢物的制药组合物,以及使用这些化合物和组合物治疗由raf,Vegfr,Pdgfr,P38和flt-3介导的疾病.描述了化合物i的m2,M3,M4和m5合成代谢物,其中化合物i和m2,M3,M4和m5合成代谢物的结构如下: