(2S)-2-aminobutanedioic acid

• ChemBase编号: 14
• 分子式: C4H7NO4
• 平均质量: 133.10268
• 单一同位素质量: 133.03750771
• SMILES: OC(=O)[C@@H](N)CC(=O)O
• Canonical SMILES: OC(=O)C[C@@H](C(=O)O)N
• InChI: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
• InChIKey: CKLJMWTZIZZHCS-REOHCLBHSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-2-aminobutanedioic acid
• IUPAC传统名: L-aspartic acid
• 商标名: Aspatofort
• 别名: (S)-(+)-氨基琥珀酸; (S)-氨基丁二酸; L-天冬氨酸; 天冬氨酸; L-天门冬氨酸; L-Aspartic acid; (S)-2-Aminosuccinic acid; ASPARTIC ACID, USP GRADE; (S)-(+)-Aminosuccinic acid; (+)-Aspartic acid; (2S)-Aspartic acid; (L)-Aspartic acid; (S)-Aminobutanedioic acid; (S)-Aspartic acid; Acide aspartique [INN-French]; Acido aspartico [INN-Spanish]; Acidum asparticum; Aminosuccinic acid; Asparagic acid; Asparaginic acid; Asparaginsaeure [German]; Aspartate; Aspartic acid; H-Asp-OH; L-(+)-Aspartic acid; L-2-Aminobutanedioic acid; L-Aminosuccinic acid; L-Asparagic acid; L-Asparaginic acid; L-Asparaginsaeure; L-Asparaginsyra; L-Aspartinsaeure; L-Aspartic Acid

登记号

• CAS号: 6899-03-2; 56-84-8
• EC号: 200-291-6
• MDL号: MFCD00002616
• Beilstein号: 1723530
• 默克索引号: 14840
• PubChem SID: 24277948; 24847046; 24890873; 46507997; 24891191; 160963477; 24890976; 24891385
• PubChem CID: 5960
• FEMA编号: 3656
• Flavis Number: 17.005

理论计算性质

JChem

• Acid pKa: 1.7025436
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): -4.018386
• LogD (pH = 7.4): -5.749634
• Log P: -3.5037527
• 摩尔折射率: 26.5327 cm^3
• 极化性: 10.896484 Å^3
• 极化表面积: 100.62 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: -3.52
• LOG S: 0.03
• 溶解度: 1.42e+02 g/l

分子性质

理化性质

• 溶解度: 0.5 M HCl: soluble50 mg/mL (with heat); 1 M HCl: soluble0.5 M at 20 °C, clear, colorless; 1 M HCl: soluble100 mg/mL; 1 M HCl: soluble50 mg/mL; 1 M NaOH: soluble50 mg/mL; 4.5 g/l; H2O: soluble5 mg/mL
• 外观: powder; Powder
• 熔点: >300 °C (dec.)(lit.); >300°C dec.; 270-271; 270-271°C
• 密度: 1.66
• 比旋光度: [α]/D 24.0 to 26.0°, c = 8 in hydrochloric acid (6 N HCl); [α]20/D +24.7±1°, c = 5% in 5 M HCl; [α]20/D +25°, c = 8 in 5 M HCl; +25 (c=2 in 5N HCl)
• 紫外吸收波长: λ: 260 nm Amax: 0.20; λ: 280 nm Amax: 0.10
• 疏水性(logP): -3.7

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: IRRITANT
• RTECS编号: CI9098500
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 1
• 危险公开号: 36
• 安全公开号: 26
• TSCA收录: false; 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H319
• GHS警示性声明: P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 20-25°C

药理学性质

• 相关基因信息: human ... CA1(759), CA2(760)rat ... Grin2a(24409)

产品相关信息

• 纯度: ≥99%; ≥98%; ≥98% (TLC); ≥98.5%; ≥99% (TLC); ≥99.0%; ≥99.0% (T); ≥99.5% (T); 98%; 98.5-101.0%; 98+%; 99%, low metals content
• 级别: certified reference material; EP; Ph Eur; PharmaGrade; reagent grade; SAJ special grade; TraceCERT®; USP
• 光学纯度: ee: 98% (GLC)
• 适用性: meets EP, USP testing specifications; suitable for cell culture; suitable for insect cell culture; suitable for manufacturing use
• 燃烧残渣: ≤0.05% (as SO4); ≤0.1%; ≤0.1% (as SO4)
• 杂质: ≤0.0005% Phosphorus (P); ≤0.1% Insoluble matter; ≤0.3% foreign amino acids; endotoxin, tested; insoluble matter, passes filter test
• 痕量阳离子: Al: ≤0.0005%; Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤0.001%; Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤0.0005%; Cu: ≤5 mg/kg; Fe: ≤0.0005%; Fe: ≤5 mg/kg; K: ≤0.005%; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤0.0005%; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤0.005%; Na: ≤100 mg/kg; Na: ≤500 mg/kg; NH4+: ≤0.05%; NH4+: ≤200 mg/kg; NH4+: ≤500 mg/kg; Ni: ≤5 mg/kg; Pb: ≤0.001%; Pb: ≤5 mg/kg; Sr: ≤5 mg/kg; Zn: ≤0.0005%; Zn: ≤5 mg/kg
• 痕量阴离子: chloride (Cl-): ≤0.05%; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤0.05%; sulfate (SO42-): ≤150 mg/kg; sulfate (SO42-): ≤300 mg/kg
• 生物来源: from non-animal source
• 干燥失重: ≤0.1% loss on drying, 110 °C
• 产品质量级别: GMP-COMPENDIA; PREMIUM
• λ: 0.5 M in 1 M HCl
• 药典: testing & handling conforms to Pharmacopeia
• 产品线: BioReagent; BioUltra; BioXtra
• 线性分子式: HO2CCH2CH(NH2)CO2H

详细说明

MP Biomedicals - 02194633

Cell Culture Reagent
Crystalline
Purity: 99+%

MP Biomedicals - 02100809

Crystalline
Purity: >99%

DrugBank - DB00128

• Drug Groups: approved; nutraceutical
• Description: One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter. [PubChem]
• Indication: There is no support for the claim that aspartates are exercise performance enhancers, i.e. ergogenic aids.
• Pharmacology: L-aspartate is considered a non-essential amino acid, meaning that, under normal physiological conditions, sufficient amounts of the amino acid are synthesized in the body to meet the body's requirements. L-aspartate is formed by the transamination of the Krebs cycle intermediate oxaloacetate. The amino acid serves as a precursor for synthesis of proteins, oligopeptides, purines, pyrimidines, nucleic acids and L-arginine. L-aspartate is a glycogenic amino acid, and it can also promote energy production via its metabolism in the Krebs cycle. These latter activities were the rationale for the claim that supplemental aspartate has an anti-fatigue effect on skeletal muscle, a claim that was never confirmed.
• Toxicity: Mild gastrointestinal side effects including diarrhea. LD₅₀ (rat) > 5,000 mg/kg.
• Affected Organisms: Humans and other mammals
• Absorption: Absorbed from the small intestine by an active transport process
• External Links: Wikipedia; PDRhealth

Sigma Aldrich - A5474

Biochem/physiol Actions
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按照 cGMP 制造和包装。

Sigma Aldrich - A8949

Biochem/physiol Actions
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包装
10 mg in autosmp vl

Sigma Aldrich - A7219

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Sigma Aldrich - 11189

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Sigma Aldrich - A9256

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Sigma Aldrich - A4534

Frequently Asked Questions
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Sigma Aldrich - W365601

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包装
1 sample in glass bottle
1, 5 kg in poly bottle

Sigma Aldrich - A93100

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包装
100, 500 g in poly bottle
2 kg in poly bottle
2.5 g in glass bottle

Sigma Aldrich - 77737

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Sigma Aldrich - 51572

Analysis Note
该有证标准物质 (CRM) 根据 ISO/IEC 17025 和 ISO 指南 34 生产和认证。该有证标准物质可溯源到 NIST 标准参考物质。
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Sigma Aldrich - 11190

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L-Aspartic acid is a negatively charged carboxyl side-chain containing α amino acid. Aspartic acid is involved in nitrogen metabolism via its inter-conversion to oxaloacetate (OAA). As one of the 22 proteinogenic amino acids L-Asp is incorporated into proteins by translation processes in vitro. L-Aspartic acid is a non-essential amino acid added to cell culture media. L-aspartate supports polyamine biosynthesis.

Sigma Aldrich - 01-6810

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参考文献

• Readily forms ?-lactam derivatives whichare valuable intermediates for the synthesis of a variety of products, including thienamycin: J. Am. Chem. Soc., 102, 6163 (1980); Tetrahedron Lett., 23, 2293 (1982).