CAS: 865758-98-1; (R)-2-((6-(3-Aminopiperidin-1-yl)-2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-yl)Methyl)Benzonitrile

英文名称(R)-2-((6-(3-Aminopiperidin-1-yl)-2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-yl)Methyl)Benzonitrile
中文名称苯甲酸阿格列汀杂质F
IUPAC名称(R)-2-((6-(3-aminopiperidin-1-yl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile
其它别名Alogliptin Impurity B; 2-[[6-[(3R)-3-Aminopiperidin-1-Yl]-2,4-Dioxopyrimidin-1-Yl]Methyl]Benzonitrile; (R)-2-((6-(3-Aminopiperidin-1-Yl)-2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl)Methyl)Benzonitrile; N-Demethylated Alogliptin; (R)-2-((6-(3-Aminopiperidin-1-Yl)-2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl)Methyl)Benzonitrile Compound With 2,2,2-Trifluoroacetate(1:1); Alogliptin-9; Alogliptin Impurity 12/n-Demethylated Alogliptin/(R)-2-((6-(3-Aminopiperidin-1-Yl)-2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl)Methyl)Benzonitrile; Benzonitrile, 2-[[6-[(3R)-3-Amino-1-Piperidinyl]-3,4-Dihydro-2,4-Dioxo-1(2H)-Pyrimidinyl]Methyl]-
CAS编号865758-98-1
MFCD编号:MFCD27996055
FDA UNII编号:625UXD6CJI
分子式:C17H19N5O2分子量:325.37
产品CID: 1868292
产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

相似结构搜索
InChIKey: KYXUNUKTHMZSLE-CQSZACIVSA-N
InChI=1S/C17H19N5O2/c18-9-12-4-1-2-5-13(12)10-22-16(8-15(23)20-17(22)24)21-7-3-6-14(19)11-21/h1-2,4-5,8,14H,3,6-7,10-11,19H2,(H,20,23,24)/t14-/m1/s1
计算化学: 氢键受体数5.0氢键供体数2.0可旋转键数3.0

MSDS等安全信息

危险描述CAUTION: May irritate eyes, skin
安全声明CAUT

上下游产品

阿格列汀 Alogliptin 850649-61-5
阿格列汀中间体 2-((6-Chloro-2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-yl)Methyl)Benzonitrile 865758-95-8

合成工艺路线路线简述

📜阿格列汀中间体,(S)-Alogliptin Benzoate Salt 反应生成苯甲酸阿格列汀杂质f
参考文献:Dipeptidyl Peptidase Inhibitors
标题:Dipeptidyl Peptidase Inhibitors
摘要:本文提供了用于dpp-Iv的化合物,其公式为:此外还提供了包含这些化合物的药物组合物,试剂盒和制品;用于制备这些化合物的方法和中间体;以及使用这些化合物的方法.

海关参考信息

2902300000-甲苯
2921211000-乙二胺
2926909090-其他腈基化合物
💡 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

专利信息

专利号:WO-2015092739-A1
优先权日:2013-12-19
标题:Process for preparation of alogliptin
发明人：VADALI LAKSHMANA RAO; DASARI SRINIVASA RAO; MANUKONDA SESHADRI RAO; PONDURI RAJASEKHAR
权利人:MYLAN LAB LTD
摘要:Processes for the preparation of alogliptin benzoate are disclosed. The present disclosure also provides intermediates useful in the synthesis of alogliptin benzoate.

其他信息查阅

供应商参考报价(招募中)

品牌试剂参考报价(招募中)

实用工具

📌 第三方产品分析报告

✅ COA系统入驻 | 共享模式

合成参考文献

参考文献:10.1021/jm101016w
摘要:Zhang Z, Wallace MB, Feng J, Stafford JA, Skene RJ, Shi L, Lee B, Aertgeerts K, Jennings A, Xu R, Kassel DB, Kaldor SW, Navre M, Webb DR, Gwaltney SL. Design and synthesis of pyrimidinone and pyrimidinedione inhibitors of dipeptidyl peptidase IV. J Med Chem. 2011 Jan 27;54(2):510–24. doi: 10.1021/jm101016w.