(3S)-3-amino-1-chloro-5-methylhexan-2-one hydrochloride

• ChemBase编号: 104232
• 分子式: C7H15Cl2NO
• 平均质量: 200.1061
• 单一同位素质量: 199.05306947
• SMILES: Cl.CC(C)C[C@H](N)C(=O)CCl
• Canonical SMILES: ClCC(=O)[C@H](CC(C)C)N.Cl
• InChI: InChI=1S/C7H14ClNO.ClH/c1-5(2)3-6(9)7(10)4-8;/h5-6H,3-4,9H2,1-2H3;1H/t6-;/m0./s1
• InChIKey: DRZZRBOLWKRHPF-RGMNGODLSA-N

名称和登记号

名称

• IUPAC标准名: (3S)-3-amino-1-chloro-5-methylhexan-2-one hydrochloride
• IUPAC传统名: (3S)-3-amino-1-chloro-5-methylhexan-2-one hydrochloride
• 别名: L-LEUCINE CHLOROMETHYL KETONE; Leu-CMK HCl; L-Leucine chloromethyl ketone hydrochloride

登记号

• CAS号: 54518-92-2
• MDL号: MFCD00238011
• PubChem SID: 24896287; 162091635
• PubChem CID: 16219556

理论计算性质

• Acid pKa: 15.532388
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.9103565
• LogD (pH = 7.4): 0.7789258
• Log P: 1.5423682
• 摩尔折射率: 42.4752 cm^3
• 极化性: 17.056 Å^3
• 极化表面积: 43.09 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

• 熔点: 144-146°C

安全信息

• 保存条件: Room Temperature (15-30°C)
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• Empirical Formula (Hill Notation): C7H14ClNO · HCl

详细说明

MP Biomedicals - 02155193

Hydrochloride

Sigma Aldrich - L1636

Biochem/physiol Actions
L-Leucine chloromethyl ketone (Leu-CMK) is used as a lysosomal cysteine protease inhibitor and as an insulin-like stimulator of lipid synthesis. L-Leucine chloromethyl ketone (Leu-CMK) may be acetylated to generate acetylleucine chloromethyl ketone, an inhibitor of acylpeptide hydrolase.