(2S,3S,4S)-3-(carboxymethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylic acid hydrate

• ChemBase编号: 133188
• 分子式: C10H17NO5
• 平均质量: 231.24568
• 单一同位素质量: 231.11067265
• SMILES: CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O.O
• Canonical SMILES: OC(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)O)C(=C)C.O
• InChI: InChI=1S/C10H15NO4.H2O/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13;/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15);1H2/t6-,7+,9-;/m0./s1
• InChIKey: FZNZRJRSYLQHLT-SLGZUKMRSA-N

名称和登记号

名称

• IUPAC标准名: (2S,3S,4S)-3-(carboxymethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylic acid hydrate
• IUPAC传统名: kainic acid hydrate
• 别名: 2-Carboxy-3-carboxymethyl-4-isopropenylpyrrolidine; Kainic acid monohydrate

登记号

• CAS号: 58002-62-3
• MDL号: MFCD00150833
• PubChem SID: 24724520; 162227465; 24277985
• PubChem CID: 11954253

理论计算性质

• Acid pKa: 1.7361971
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): -3.3863163
• LogD (pH = 7.4): -5.153439
• Log P: -2.3627985
• 摩尔折射率: 52.201 cm^3
• 极化性: 20.809425 Å^3
• 极化表面积: 86.63 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: >10 mg/mL; H2O: soluble
• 外观: white

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
• 保存温度: 2-8°C

药理学性质

• 相关基因信息: human ... GRIA1(2890), GRIA2(2891), GRIA4(2893), GRIK1(2897), GRIK2(2898), GRIK3(2899), GRIK4(2900), GRIK5(2901), SLC1A1(6505), SLC1A2(6506), SLC1A3(6507)mouse ... Gria1(14799)rat ... Gria1(50592), Grik1(29559), Grik4(24406), Grin2a(24409)

产品相关信息

• 纯度: ≥98% (HPLC); ≥99% (TLC)
• 杂质: Glutamate, free
• 生物来源: from Digenea simplex
• Empirical Formula (Hill Notation): C10H15NO4 · H2O

详细说明

Sigma Aldrich - K0250

Application
Kainic acid is used to study mechanisms of excitation-induced apoptosis and epilepsy.
General description
Kainic acid is an agonist for kainate-class ionotropic glutamate receptors. Kainate receptors directly gate ion channels and are generally excitatory. Excess stimulation by Kainic acid induces neurocytosis (apoptosis) and epileptic seizures.
Preparation Note
Dissolve in 1-2 drops of 1N NaOH then bring to volume with water or aqueous buffer. Can be stored 1-2 days refrigerated.
Biochem/physiol Actions
Kainic acid monohydrate is an agonist at the kainate class of ionotropic glutamate receptors, which induces seizures and neurodegeneration in vivo and is used to induce experimental epilepsy in rodents and study the mechanisms of excitation-induced neuronal apoptosis.

Sigma Aldrich - K2389

Biochem/physiol Actions
Kainic acid monohydrate is an agonist at the kainate class of ionotropic glutamate receptors, which induces seizures and neurodegeneration in vivo and is used to induce experimental epilepsy in rodents and study the mechanisms of excitation-induced neuronal apoptosis.