(2S)-2-amino-4-methylpentanoic acid

• ChemBase编号: 35
• 分子式: C6H13NO2
• 平均质量: 131.17292
• 单一同位素质量: 131.09462866
• SMILES: OC(=O)[C@@H](N)CC(C)C
• Canonical SMILES: N[C@H](C(=O)O)CC(C)C
• InChI: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
• InChIKey: ROHFNLRQFUQHCH-YFKPBYRVSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-2-amino-4-methylpentanoic acid
• IUPAC传统名: L-leucine
• 别名: 亮氨酸; (S)-2-氨基-4-甲基戊酸; L-亮氨酸; L-2-Amino-4-methylpentanoic acid; Leucinum; LEUCINE, U.S.P.; Leucine; L-Leucine; (2S)-2-Amino-4-methylpentanoic acid; (S)-(+)-Leucine; (S)-2-Amino-4-methylpentanoic acid; (S)-2-Amino-4-methylvaleric acid; (S)-Leucine; 1-Leucine; 2-Amino-4-methylpentanoic acid; 2-Amino-4-methylvaleric acid; alpha-Amino-gamma-methylvaleric acid; alpha-Aminoisocaproic acid; L-(+)-Leucine; L-(-)-2-Amino-4-methylpentanoic acid; L-a-Aminoisocaproic acid; Leu; Leucine; Leucin; L-Leucine; H-Leu-OH

登记号

• CAS号: 61-90-5
• EC号: 200-522-0
• MDL号: MFCD00002617
• Beilstein号: 1721722
• 默克索引号: 145451
• PubChem SID: 24874858; 24896388; 24886442; 24896488; 24901619; 24896510; 160963498
• PubChem CID: 6106
• CHEBI ID: 57427
• CHEMBL: 291962
• Chemspider ID: 5880
• DrugBank ID: DB01746
• FEMA编号: 3297
• KEGG ID: D00030
• 美国药典/FDA物质标识码: GMW67QNF9C
• 维基百科标题: Leucine
• 欧洲委员会编号: 10482
• Flavis Number: 17.012
• E编码: E641

理论计算性质

JChem

• Acid pKa: 2.787709
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -1.58655
• LogD (pH = 7.4): -1.5889318
• Log P: -1.5861572
• 摩尔折射率: 34.1709 cm^3
• 极化性: 13.835553 Å^3
• 极化表面积: 63.32 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: -1.82
• LOG S: -0.27
• 溶解度: 6.98e+01 g/l

分子性质

理化性质

• 溶解度: 1 M HCl: soluble0.1 M at 20 °C, clear, colorless; 1 M HCl: soluble50 mg/mL; slight
• 外观: powder
• 熔点: >300 °C(lit.); >300°C; 295°C
• 密度: 1.293; 1.293 g/ml
• 比旋光度: [α]20/D +15.5±0.5°, c = 5% in 5 M HCl; [α]20/D +15.5±1.0°, c = 5% in 5 M HCl; [α]20/D +15.5°, c = 2 in 6 M HCl; [α]25/D +15.5°, c = 4 in 6 M HCl; +15 (c=2 in 5N HCl)
• 紫外吸收波长: λ: 260 nm Amax: 0.05; λ: 280 nm Amax: 0.05
• 疏水性(logP): -1.4
• pKa: 2.36 (carboxyl), 9.60 (amino)

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: OH2850000
• 德国WGK号: 1
• TSCA收录: 是
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C
• Regulation Compliance: FCC; FDA 21 CFR (172.320); FDA 21 CFR (172.804)

产品相关信息

• 纯度: ≥98% (TLC); ≥98.5%; ≥99.0%; ≥99.0% (NT); ≥99.5% (NT); 97%; 98%; 98.5-101.0%; 99%
• 级别: certified reference material; EP; JP; Kosher; NI; Ph Eur; reagent grade; SAJ special grade; TraceCERT®; USP
• 光学纯度: ee: ≥97% (GLC)
• 包装: pkg of 1 g
• 适用性: cell culture tested; meets EP, JP, USP testing specifications; suitable for cell culture; suitable for manufacturing use
• 燃烧残渣: ≤0.1%; ≤0.1% (as SO4)
• 杂质: ≤0.3% foreign amino acids; endotoxin, tested; insoluble matter, passes filter test; isoleucine and methionine, essentially free
• 痕量阳离子: Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤100 mg/kg; NH4+: ≤100 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Sr: ≤5 mg/kg; Zn: ≤5 mg/kg
• 痕量阴离子: chloride (Cl-): ≤200 mg/kg; sulfate (SO42-): ≤100 mg/kg
• 生物来源: from non-animal source
• 干燥失重: ≤0.1% loss on drying, 110 °C; ≤0.1% loss on drying, 20 °C (HV)
• 产品质量级别: GMP-COMPENDIA; PREMIUM
• λ: 0.1 M in 1 M HCl
• 药典: testing & handling conforms to Pharmacopeia
• 产品线: BioUltra
• Pharmacopeia Traceability: traceable to PhEur L0375000; traceable to USP 1357001
• 线性分子式: (CH3)2CHCH2CH(NH2)CO2H

详细说明

MP Biomedicals - 02102158

Crystalline
Substantially free of isoleucine and methionine

MP Biomedicals - 02194694

Cell Culture Reagent
Crystalline
Substantially free of isoleucine and methionine

DrugBank - DB00149

• Drug Groups: approved; nutraceutical
• Description: An essential branched-chain amino acid important for hemoglobin formation. [PubChem]
• Indication: Indicated to assist in the prevention of the breakdown of muscle proteins that sometimes occur after trauma or severe stress.
• Pharmacology: An essential amino acid. (Claim) Leucine helps with the regulation of blood-sugar levels, the growth and repair of muscle tissue (such as bones, skin and muscles), growth hormone production, wound healing as well as energy regulation. It can assist to prevent the breakdown of muscle proteins that sometimes occur after trauma or severe stress. It may also be beneficial for individuals with phenylketonuria - a condition in which the body cannot metabolize the amino acid phenylalanine
• Affected Organisms: Humans and other mammals
• External Links: Wikipedia; PDRhealth

Sigma Aldrich - L8000

包装
1 kg in poly bottle
25, 50, 100, 250 g in poly bottle

Sigma Aldrich - L8912

包装
10 mg in autosmp vl

Sigma Aldrich - L6914

包装
按照 cGMP 制造和包装

Sigma Aldrich - 61819

Other Notes
As spacer in isotachophoresis of serum proteins1,2; Growth requirement of various microorganisms3

Sigma Aldrich - W329703

包装
1 kg in poly bottle
1 sample in glass bottle
100 g in poly bottle
5 kg in fiber drum

Sigma Aldrich - 76526

Analysis Note
此认证标准物质 (CRM) 的生产和认证都符合 ISO/IEC 17025 和 ISO Guide 34 的要求。此 CRM 可溯源到 NIST SRM。
General description
认证的含量经定量 NMR 确定，并且证书上标明不确定度和有效期。 证书下载：http://www.sigma-aldrich.com。
法律信息
TraceCERT 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - PHR1105

General description
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO Guide 34.
Other Notes
Values of analytes vary lot to lot.