CAS: 1673546-62-7; (R)-N-(1-(7-(But-2-Yn-1-yl)-3-Methyl-1-((4-Methylquinazolin-2-yl)Methyl)-2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-8-yl)Piperidin-3-yl)-2,2,2-Trifluoroacetamide (Linagliptin Impurity)

英文名称(R)-N-(1-(7-(But-2-Yn-1-yl)-3-Methyl-1-((4-Methylquinazolin-2-yl)Methyl)-2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-8-yl)Piperidin-3-yl)-2,2,2-Trifluoroacetamide (Linagliptin Impurity)
中文名称利格列汀杂质 06
IUPAC名称(R)-N-(1-(7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidin-3-yl)-2,2,2-trifluoroacetamide
其它别名Linagliptin Impurity 5/(R)-N-(1-(7-(But-2-Yn-1-yl)-3-Methyl-1-((4-Methylquinazolin-2-yl)Methyl)-2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-8-yl)Piperidin-3-yl)-2,2,2-Trifluoroacetamide; (R)-N-(1-(7-(But-2-Yn-1-yl)-3-Methyl; Linagliptin-6; (R)-N-(1-(7-(But-2-Yn-1-yl)-3-Methyl-1-((4-Methylquinazolin-2-yl)Methyl)-2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-8-yl)Piperidin-3-yl)-2,2,2-Trifluoroacetamide; Acetamide, N-[(3R)-1-[7-(2-Butyn-1-yl)-2,3,6,7-Tetrahydro-3-Methyl-1-[(4-Methyl-2-Quinazolinyl)Methyl]-2,6-Dioxo-1H-Purin-8-Yl]-3-Piperidinyl]-2,2,2-Trifluoro-; (R)-N-(1-(7-(But-2-Yn-1-yl)-3-Methyl-1-((4-Methylquinazolin-2-yl)Methyl)-2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-8-yl)Piperidin-3-yl)-2,2,2-Trifluoroace; (R)-N-(1-(7-(But-2-Yn-1-yl)-3-Methyl-1-((4-Methylquinazolin-2-yl)Methyl)-2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-8-yl)Piperidin-3-yl)-2,2,2-Trifluoroacetamide (Linagliptin Impurity); Linagliptin Impurity Qq: What Is Linagliptin Impurity Q Q: What Is The Cas Number Of Linagliptin Impurity Q Q: What Is The Storage Condition Of Linagliptin Impurity Q
CAS编号1673546-62-7
MFCD编号:MFCD28978552
EINECS号:878-135-7
FDA UNII编号:ZAG57DVY7E
分子式:C27H27F3N8O3
分子量:568.56
产品CID: 846692
产品分类有机原料 → 有机杂环化合物 → 咪唑并嘧啶类

相似结构搜索
InChIKey: IQUUOPZPFJAZJX-QGZVFWFLSA-N
InChI=1S/C27H27F3N8O3/c1-4-5-13-37-21-22(34-25(37)36-12-8-9-17(14-36)32-24(40)27(28,29)30)35(3)26(41)38(23(21)39)15-20-31-16(2)18-10-6-7-11-…
计算化学: 氢键受体数10.0氢键供体数1.0可旋转键数5.0

物理性质

密度1.46±0.1 g/cm3 (20 °C 760 Torr)
pKa:10.63±0.20(预测)
LogP:3.3
储存条件2-8°C
产品应用该化合物用于治疗2型糖尿病的DPP-4(DIPPTIDYL PEPTIDASE-4)抑制剂.

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别急性毒性类别4(吸入)
急性毒性类别4(经皮)
急性毒性类别4(经口)
皮肤腐蚀/刺激类别2
严重眼刺激类别2
警示词Warning(警告)
危险描述H332 |吸入有害.
H312 |皮肤接触有害.
H302 |吞咽有害.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
防范说明P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312

欧盟法规

C&L通报

上下游产品

2-bromo-1-(but-2-ynyl)-4-methyl-6-((4-methylquinazolin-2-yl)methyl)-1H-imidazo[4,5-b]pyridine-5,7-(4H,6H)-dione pyridin-3-ylamine 2,2,2-trifluoro-N-(pyridin-3-yl)acetamideLinagliptin

合成工艺路线路线简述

2,2,2-三氟-N-(3-吡啶基)乙酰胺置于palladium 10% On Activated Carbon,D-二苯甲酰酒石酸,氢气,Potassium Carbonate,溶剂黄146体系中,用乙酸乙酯,丙酮用作溶剂,84.0 °C,1.2 Mpa 条件下,反应 41.5H,反应生成利格列汀杂质f
参考文献:化合物i及(R)-3-氨基哌啶盐酸盐ii,其制备方法及其在利格列汀合成中的应用
标题:化合物i及(R)-3-氨基哌啶盐酸盐ii,其制备方法及其在利格列汀合成中的应用
摘要:本发明公开了一种具有光学活性的3‑氨基哌啶及其衍生物的制备方法,以及其在二肽基肽酶‑ⅳ抑制剂利格列汀合成中的应用.所述制备方法中,采用3‑氨基吡啶为原料,通过3‑位氨基保护,催化氢化还原吡啶环,手性试剂拆分得到化合物ⅰ,进而再脱保护得到(R)‑3‑氨基哌啶盐酸盐ii.所述应用中,由化合物ⅰ制备的化合物ⅲ为合成利格列汀的重要中间体,(R)‑3‑氨基哌啶盐酸盐ii也可直接合成高纯度的利格列汀.本发明所用原料价格低,市场上容易得到,各步骤单元操作简单,设备要求低,安全性高,易于工业化生产.