2-[(4-aminophenyl)formamido]acetic acid

• ChemBase编号: 229
• 分子式: C9H10N2O3
• 平均质量: 194.1873
• 单一同位素质量: 194.06914219
• SMILES: O=C(NCC(=O)O)c1ccc(N)cc1
• Canonical SMILES: O=C(c1ccc(cc1)N)NCC(=O)O
• InChI: InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)
• InChIKey: HSMNQINEKMPTIC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(4-aminophenyl)formamido]acetic acid
• IUPAC传统名: aminohippurate
• 别名: 对氨基马尿酸; 4-氨基马尿酸; 4-氨基马尿酸; N-(4-氨基苯甲酰基)甘氨酸; 对氨基马尿酸; p-Aminohippuric acid; 4-Aminohippuric acid; PAHH; AminohippuratH; 4-Aminohippuric acidH; N-(4-Aminobenzoyl)glycinH; Aminohippuric acid; 2-(4-aminobenzamido)acetic acid; N-[p-Aminobenzoyl]glycine; 4-Aminohippuric acid; N-(4-Aminobenzoyl)glycine; p-AMINOHIPPURIC ACID; Aminohippurate Sodium; Aminohippuric acid; Aminohippuric acid Sodium salt; Sodium p-aminohippurate; Sodium para-Aminohippurate; para-Aminohippurate; PAH; Aminohippurate; p-Aminohippuric acid; 4-Aminohippuric Acid

登记号

• CAS号: 61-78-9; 94-16-6
• EC号: 200-518-9
• MDL号: MFCD00007890
• Beilstein号: 1213676
• 默克索引号: 14442
• PubChem SID: 46507106; 160963692; 24890544
• PubChem CID: 2148
• CHEBI ID: 104011
• ATC码: V04CH30
• CHEMBL: 463
• Chemspider ID: 2063
• DrugBank ID: DB00345
• KEGG ID: D06890
• 美国药典/FDA物质标识码: Y79XT83BJ9
• 维基百科标题: Aminohippuric_acid

理论计算性质

JChem

• Acid pKa: 2.7016902
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -2.096073
• LogD (pH = 7.4): -3.5996192
• Log P: -1.0117944
• 摩尔折射率: 50.8181 cm^3
• 极化性: 18.569841 Å^3
• 极化表面积: 92.42 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 0.0
• LOG S: -1.79
• 溶解度: 3.13e+00 g/l

分子性质

理化性质

• 溶解度: Slightly soluble
• 熔点: 198-199°C (dec.); 198-202 °C; 199-200 °C (dec.)(lit.); 200-202 °C; ca 200°C dec.
• 疏水性(logP): -2.2

安全信息

• 保存条件: 0°C, Protect from light
• 德国WGK号: 3
• TSCA收录: 是
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: room temp

药理学性质

• 作用靶点: Others

产品相关信息

• 纯度: ≥98.0% (T); ≥99%; ≥99.0% (T); 95+%; 97%
• 级别: puriss.; purum
• 成盐信息: Free Base
• 线性分子式: NH2C6H4C(O)NHCH2COOH
• 分类: Derivatives & analogs of Natural Compounds

详细说明

MP Biomedicals - 02102570

Crystalline
Useful in kidney function test.

DrugBank - DB00345

• Drug Groups: approved
• Description: The glycine amide of 4-aminobenzoic acid. Its sodium salt is used as a diagnostic aid to measure effective renal plasma flow (ERPF) and excretory capacity. [PubChem]
• Indication: Used to measure effective renal plasma flow (ERPF) and to determine the functional capacity of the tubular excretory mechanism.
• Pharmacology: Aminohippurate (p-aminohippuric acid, PAH, PAHA) is the glycine amide of p-aminobenzoic acid. It is filtered by the glomeruli and is actively secreted by the proximal tubules. At low plasma concentrations (1.0 to 2.0 mg/100 mL), an average of 90 percent of aminohippurate is cleared by the kidneys from the renal blood stream in a single circulation. It is ideally suited for measurement of ERPF since it has a high clearance, is essentially nontoxic at the plasma concentrations reached with recommended doses, and its analytical determination is relatively simple and accurate. Aminohippurate is also used to measure the functional capacity of the renal tubular secretory mechanism or transport maximum (Tm_PAH). This is accomplished by elevating the plasma concentration to levels (40-60 mg/100 mL) sufficient to saturate the maximal capacity of the tubular cells to secrete aminohippurate. Inulin clearance is generally measured during Tm_PAH determinations since glomerular filtration rate (GFR) must be known before calculations of secretory Tm measurements can be done.
• Toxicity: The intravenous LD₅₀ in female mice is 7.22 g/kg.
• Affected Organisms: Humans and other mammals
• External Links: Wikipedia; RxList

Sigma Aldrich - A1422

包装
10, 25, 100, 250 g in poly bottle

Sigma Aldrich - 122955

包装
25 g in poly bottle