CAS: 486460-31-5; (3R)-3-Amino-4-(2,5-Difluorophenyl)-1-[3-(Trifluoromethyl)-5,6-Dihydro[1,2,4]Triazolo[4,3-A]Pyrazin-7(8H)-yl)Butan-1-One
该化合物是一个复杂的有机化合物,其独特的双环结构具有独特特点,包含三硝基和双子宫,三氟甲基组的存在会增加其亲脂性,并可能影响其生物活动,该化合物还含有氨基氨基化合物和二氟苯替代成分,这可以促进其药理特性,通常,这些化合物具有医学化学作用,因为它们具有治疗剂的潜力,特别是在肿瘤学或传染病领域.(3R)配置显示的立体化学表明,具体的空间安排可能会影响该化合物与生物目标的相互作用.此外,多种氟原子的存在往往与代谢稳定性和生物利用率的提高相关.总体而言,这一化合物体现了在药物开发中经常采用的复杂设计,目的是优化功效和尽量减少副作用.
- 英文名称(3R)-3-Amino-4-(2,5-Difluorophenyl)-1-[3-(Trifluoromethyl)-5,6-Dihydro[1,2,4]Triazolo[4,3-A]Pyrazin-7(8H)-yl)Butan-1-One
- 中文名称西格列汀杂质 B
- IUPAC名称(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
- CAS编号486460-31-5
- MFCD编号:MFCD32898997
- FDA UNII编号:3BND42HHK2
- 分子式:C16H16F5N5O分子量:389.32
- 产品CID: 1478698
- 产品分类分析化学 → 标准品 → 药典标准品和杂质标准品
物理性质
MSDS等安全信息
上下游产品
7-[(3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(2,5-difluorophenyl)butanoyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine 3-trifluoromethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(2,5-difluorophenyl)butanoic acid 2-(bromomethyl)-1,4-difluorobenzene合成工艺路线路线简述
📜(R)-3-[(1,1-Dimethylethoxycarbonyl)Amino]-1-Diazo-4-(2,5-Difluorophenyl)Butan-2-One置于盐酸,Lithium Hydroxide,Silver Benzoate,1-羟基苯并三唑,1-(3-二甲基氨基丙基)-3-乙基碳二亚胺,N,N-二异丙基乙胺体系中,用 四氢呋喃,甲醇,N,N-二甲基甲酰胺 作为反应溶剂,化学反应 35.5H,反应生成 西他列汀defuoro杂质5
参考文献:(2R)-4-Oxo-4-[3-(Trifluoromethyl)-5,6-Dihydro[1,2,4]Triazolo[4,3-A]Pyrazin-7(8H)-Yl]-1-(2,4,5-Trifluorophenyl)Butan-2-Amine: A Potent,Orally Active Dipeptidyl Peptidase Iv Inhibitor For The Treatment Of Type 2 Diabetes
标题:(2R)-4-Oxo-4-[3-(Trifluoromethyl)-5,6-Dihydro[1,2,4]Triazolo[4,3-A]Pyrazin-7(8H)-Yl]-1-(2,4,5-Trifluorophenyl)Butan-2-Amine: A Potent,Orally Active Dipeptidyl Peptidase Iv Inhibitor For The Treatment Of Type 2 Diabetes
摘要:A Novel Series Of Beta-Amino Amides Incorporating Fused Heterocycles,I.E.,Triazolopiperazines,Were Synthesized And Evaluated As Inhibitors Of Dipeptidyl Peptidase Iv (Dpp-Iv) For The Treatment Of Type 2 Diabetes. (2R)-4-Oxo-4-[3-(Trifluoromethyl)-5,6-Dihydro[1,2,4]Triazolo[4,3-A]Pyrazin-7(8H)-Yl]-1-(2,4,5-Trifluorophenyl)Butan-2-Amine (1) Is A Potent,Orally Active Dpp-Iv Inhibitor (Ic(50) = 18 Nm) With Excellent Selectivity Over Other Proline-Selective Peptidases,Oral Bioavailability In Preclinical Species,And In Vivo Efficacy In Animal Models. Mk-0431,The Phosphate Salt Of Compound 1,Was Selected For Development As A Potential New Treatment For Type 2 Diabetes.
DOI:10.1021/jm0493156
海关参考信息
- 2902600000-乙苯
2912110000-甲醛
2912120000-乙醛
2924191000-二甲基甲酰胺 - 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
- 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
合成参考文献
参考文献:10.1016/j.bmcl.2006.09.099
摘要:Biftu T, Feng D, Qian X, Liang GB, Kieczykowski G, Eiermann G, He H, Leiting B, Lyons K, Petrov A, Sinha-Roy R, Zhang B, Scapin G, Patel S, Gao YD, Singh S, Wu J, Zhang X, Thornberry NA, Weber AE. (3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes. Bioorg Med Chem Lett. 2007 Jan 01;17(1):49–52. doi: 10.1016/j.bmcl.2006.09.099.
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