CAS: 1032564-18-3; 2-((3-Hydroxyadamantan-1-yl)Amino)Acetic Acid

英文名称2-((3-Hydroxyadamantan-1-yl)Amino)Acetic Acid
中文名称维格列汀-12
IUPAC名称(3-hydroxyadamantan-1-yl)glycine
其它别名N-Acetic Acid-1-Amino-3-Adamantanol; Vildagliptin Impurity 4; (3-Hydroxyadamantan-1-Ylamino)Acetic Acid; 2-((3-Hydroxyadamantan-1-yl)Amino)Acetic Acid; Vildagliptin Impurity 22; Vildagliptin Impurity 13/((1R,3S,5R,7S)-3-Hydroxyadamantan-1-yl)Glycine; Glycine, N-(3-Hydroxytricyclo[3.3.1.13,7]Dec-1-yl)-; (3-Hydroxyadamantan-1-Ylamino)Aceticaci
CAS编号1032564-18-3
MFCD编号:MFCD20278233
FDA UNII编号:3JZB9AHA39
分子式:C12H19NO3分子量:225.29
产品CID: 66484
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: FSZTVAMKEHAGGP-UHFFFAOYSA-N
InChI=1S/C12H19NO3/c14-10(15)6-13-11-2-8-1-9(3-11)5-12(16,4-8)7-11/h8-9,13,16H,1-7H2,(H,14,15)
计算化学: 氢键受体数4.0氢键供体数3.0可旋转键数3.0

物理性质

熔点211-215°C
沸点399.4±27.0 °C(预测)
密度1.30±0.1 g/cm3(预测)
pKa:2.35±0.10(预测)
PSA:69.56
LogP:1.1352
溶解性DMSO (Slightly, Heated), Methanol (Slightly)
外观形态白色至类白色固体
储存条件在惰性气体(氮气或氩气)下 2–8 °C
产品应用该化合物用于精液外皮的二丁基乙酰丙丁二烯四(DPP-4).

上下游产品

3-aminoadamantan-1-ol 1-Adamantanamine amantadine hydr°Chloride [(3-hydroxyadamantan-1-yl)imino]acetic acidvildagliptin (S)-1-[2-(3-hydroxyadamantan-1-ylamino)acetyl]pyrrolidine-2-carboxylic acid amide

合成工艺路线路线简述

📜盐酸金刚烷胺置于硫酸,水,硝酸,Potassium Carbonate,Potassium Iodide,Potassium Hydroxide体系中,用四氢呋喃用作溶剂,化学反应 19.0H,反应生成维格列汀-12
参考文献: Process For Preparation Of Dpp-Iv Inhibitors[fr] Procédé De Préparation D'Inhibiteurs De La Dpp-Iv
标题: Process For Preparation Of Dpp-Iv Inhibitors[fr] Procédé De Préparation D'Inhibiteurs De La Dpp-Iv
摘要:公开了制备dpp-Iv抑制剂的过程,例如1-[[(3-羟基-1-缩砂)氨基]乙酰]-2-氰基-(S)-吡咯烷.