138-60-3
中文名稱
4-氧代-1,4-二氫-2,6-吡啶二甲酸
英文名稱
Chelidamic acid
CAS
138-60-3
EINECS 編號
205-335-8
分子式
C7H5NO5
MDL 編號
MFCD00066478
分子量
183.12
MOL 文件
138-60-3.mol
更新日期
2025/03/10 22:21:43
138-60-3 結(jié)構(gòu)式
基本信息
中文別名
4-羥基吡啶-2,6-二羧酸單水白屈氨酸
白屈氨酸水合物
白屈菜胺酸
4-氧代-1,4-二氫-2,6-吡啶二甲酸
白屈氨酸
英文別名
1,4-DIHYDRO-4-OXO-2,6-PYRIDINEDICARBOXYLIC ACID4-HYDROXY-2,6-PYRIDINEDICARBOXYLIC ACID
4-HYDROXYPYRIDINE-2,6-DICARBOXYLIC ACID
4-PYRIDONE-2,6-DICARBOXYLIC ACID
AKOS 90653
CHELIDAMIC ACID
CHELIDAMIC ACID HYDRATE
1,4-Dihydro-4-oxo-2,6-pyridinedicarboxylic acid hydrate
4-Hydroxypyridine-2,6-dicarboxylic acid hydrate
chelidamic acid approx. 95%
Chelidamic aicd
1,4-dihydro-4-oxopyridine-2,6-dicarboxylic acid
.HELIDAMIC AICD
4-Hydroxy-2,6-pyridenedicarboxylic acid
Ammox-chelidonic acid
4-Oxo-1,4-dihydro-2,6-pyridinedicarboxylic acid
Chelidamic acid (4-Hydroxypyridine-2,6-dicarboxylic acid)
1,4-Dihydro-4-oxo-2,6-pyridinedicarboxylic acid hydrate, 4-Hydroxypyridine-2,6-dicarboxylic acid
2,6-Pyridinedicarboxylic acid, 1,4-dihydro-4-oxo-
4-Oxo-1H-pyridine-2,6-dicarboxylic acid
所屬類別
醫(yī)藥中間體：二氫吡啶物理化學(xué)性質(zhì)
外觀白色粉末
熔點(diǎn)267 °C (dec.)(lit.)
沸點(diǎn)428.3±45.0 °C(Predicted)
密度1.726±0.06 g/cm3(Predicted)
儲存條件Keep in dark place,Sealed in dry,Room Temperature
溶解度1 M NH4OH: 50mg/mL, clear to slightly hazy
酸度系數(shù)(pKa)0.12±0.40(Predicted)
形態(tài)粉末
顏色棕色
生物來源synthetic (organic)
檢測方法HPLC,NMR
BRN476229
InChIInChI=1S/C7H5NO5/c9-3-1-4(6(10)11)8-5(2-3)7(12)13/h1-2H,(H,8,9)(H,10,11)(H,12,13)
InChIKeyXTLJJHGQACAZMS-UHFFFAOYSA-N
SMILESC1(C(O)=O)NC(C(O)=O)=CC(=O)C=1
CAS 數(shù)據(jù)庫138-60-3(CAS DataBase Reference)
安全數(shù)據(jù)
常見問題列表
化學(xué)性質(zhì)
白屈氨酸是淡黃色至土黃色粉末，熔點(diǎn)248~251℃，267 °C - 分解(文獻(xiàn)值)。
功效作用
作為一種谷氨酸脫羧酶抑制劑，白屈氨酸可作為醫(yī)藥中間體，同時因其抗炎、美白功效，也可作為化妝品原料。
生物活性
Chelidamic acid 是一種含有吡喃骨架的雜環(huán)有機(jī)酸，與金屬離子有良好的配位能力。Chelidamic acid 也是最有效的谷氨酸脫羧酶 (glutamate decarboxylase) 抑制劑之一，其 Ki 值為 33 μM。靶點(diǎn)
Ki: 33 μM (Glutamate decarboxylase).
體外研究
Chelidamic acid is a heterocyclic organic acid with a pyran skeleton. Chelidamic acid has good coordination ability with noble metal ions. Chelidamic acid is also one of the most potent inhibitors of glutamate decarboxylase, with a K i of 33 μM.