2-amino-3-(3-hydroxy-5-methyl-1,2-oxazol-4-yl)propanoic acid hydrate

• ChemBase编号: 132885
• 分子式: C7H12N2O5
• 平均质量: 204.18058
• 单一同位素质量: 204.07462149
• SMILES: Cc1c(c(no1)O)CC(C(=O)O)N.O
• Canonical SMILES: OC(=O)C(Cc1c(C)onc1O)N.O
• InChI: InChI=1S/C7H10N2O4.H2O/c1-3-4(6(10)9-13-3)2-5(8)7(11)12;/h5H,2,8H2,1H3,(H,9,10)(H,11,12);1H2
• InChIKey: HFISYNCCKQHIAM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-3-(3-hydroxy-5-methyl-1,2-oxazol-4-yl)propanoic acid hydrate
• IUPAC传统名: AMPA hydrate
• 别名: (±)-α-Amino-3-hydroxy-5-methylisoxazole-4-propionic acid hydrate; (±)-AMPA

登记号

• CAS号: 74341-63-2
• MDL号: MFCD00213388
• PubChem SID: 24891141; 162227162
• PubChem CID: 53393722

理论计算性质

• Acid pKa: 1.5563054
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): -2.4256098
• LogD (pH = 7.4): -3.4511206
• Log P: -2.3328915
• 摩尔折射率: 44.0024 cm^3
• 极化性: 16.434475 Å^3
• 极化表面积: 109.58 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: 0.1 M HCl: soluble3.5 mg/mL; 0.1 M NaOH: soluble4.3 mg/mL; 1 M HCl: soluble50 mg/mL; DMSO: soluble4.3 mg/mL; H2O: soluble1 mg/mL (warm)
• 外观: white solid

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

药理学性质

• 相关基因信息: rat ... Gria1(50592), Gria2(29627), Gria3(29628), Gria4(29629), Grik1(29559), Grik2(54257), Grin2a(24409), Grm1(24414), Grm2(24415), Grm4(24417), Grm5(24418), Slc1a1(25550), Slc1a2(29482), Slc1a3(29483)

详细说明

Sigma Aldrich - A6816

Biochem/physiol Actions
Potent excitatory amino acid that interacts selectively with central AMPA/kainate receptors.