methyl (2S)-2-amino-5-(1-nitrocarbamimidamido)pentanoate hydrochloride

• ChemBase编号: 104419
• 分子式: C7H16ClN5O4
• 平均质量: 269.68604
• 单一同位素质量: 269.0890817
• SMILES: Cl.COC(=O)[C@@H](N)CCCNC(=N)N[N+](=O)[O-]
• Canonical SMILES: COC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])N.Cl
• InChI: InChI=1S/C7H15N5O4.ClH/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15;/h5H,2-4,8H2,1H3,(H3,9,10,11);1H/t5-;/m0./s1
• InChIKey: QBNXAGZYLSRPJK-JEDNCBNOSA-N

名称和登记号

名称

• IUPAC标准名: methyl (2S)-2-amino-5-(1-nitrocarbamimidamido)pentanoate hydrochloride; methyl (2S)-2-amino-5-(3-nitrocarbamimidamido)pentanoate hydrochloride
• IUPAC传统名: methyl (2S)-2-amino-5-(1-nitrocarbamimidamido)pentanoate hydrochloride; methyl (2S)-2-amino-5-(3-nitrocarbamimidamido)pentanoate hydrochloride
• 别名: L-NAME hydrochloride; Nω-Nitro-L-arginine methyl ester hydrochloride; N-ω-NITRO-L-ARGININE METHYL ESTER; L-NAME HCl

登记号

• CAS号: 51298-62-5
• EC号: 257-116-1
• MDL号: MFCD00039052
• Beilstein号: 3744166
• PubChem SID: 24886447; 162091664; 24278011
• PubChem CID: 135193

理论计算性质

• Acid pKa: 10.0243025
• 质子受体: 6
• 质子供体: 4
• LogD (pH = 5.5): -7.6532164
• LogD (pH = 7.4): -6.102299
• Log P: -2.5069947
• 摩尔折射率: 64.6743 cm^3
• 极化性: 20.961002 Å^3
• 极化表面积: 143.37 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble50 mg/mL
• 外观: white to off-white powder
• 熔点: 157-161 °C (dec.)
• 比旋光度: [α]20/D +15.5±1°, c = 3% in methanol

安全信息

• 保存条件: 0°C
• 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: -20°C; 2-8°C

药理学性质

• 作用靶点: Others

产品相关信息

• 纯度: ≥98% (TLC); ≥99.0% (AT)
• 成盐信息: HCl
• Empirical Formula (Hill Notation): C7H15N5O4 · HCl

详细说明

MP Biomedicals - 02155846

Hydrochloride Crystalline

Sigma Aldrich - N5751

Frequently Asked Questions
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Biochem/physiol Actions
An analog of arginine that inhibits NO production. It has multiple effects on the vascular system. Inhibits relaxation induced by acetylcholine and induces an increase in arterial blood pressure. Abolishes lecithinized superoxide dismutase induced vasodilation when used to pretreat aortic ring preparations of mice. Induces leukocyte adhesion and increases microvascular fluid and protein fluxes and permeability. It has also been used in many studies of learning and memory.