N-benzyl-4-methylbenzene-1-sulfonamide

• ChemBase编号: 161969
• 分子式: C14H15NO2S
• 平均质量: 261.3394
• 单一同位素质量: 261.08234973
• SMILES: O=S(=O)(c1ccc(cc1)C)NCc1ccccc1
• Canonical SMILES: Cc1ccc(cc1)S(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C14H15NO2S/c1-12-7-9-14(10-8-12)18(16,17)15-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
• InChIKey: WTHKAJZQYNKTCJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-benzyl-4-methylbenzene-1-sulfonamide
• IUPAC传统名: N-benzyl-4-methylbenzenesulfonamide
• 别名: 4-Methyl-N-(phenylmethyl)benzenesulfonamide; Benzyl(4-toluenesulfonyl)amine; N-Benzyl-p-tosylamide; N-Tosylbenzylamine; NSC 37123; BTS; N-Benzyl-p-Toluenesulfonamide

登记号

• CAS号: 1576-37-0
• PubChem SID: 162256104
• PubChem CID: 95801

理论计算性质

• Acid pKa: 10.389575
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.0408423
• LogD (pH = 7.4): 3.0404532
• Log P: 3.040847
• 摩尔折射率: 72.7664 cm^3
• 极化性: 28.794662 Å^3
• 极化表面积: 46.17 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Ethyl Acetate
• 外观: White Solid
• 熔点: 114-116°C

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - B315190

A potent inhibitor of skeletal muscle Ca2+-stimulated myosin S1 ATPase (IC50 approx. 5uM) activity. Reversible blocks the gliding motility. Also weakens myosin’s interaction with F-actin. Does not affect platelet myosin II.

参考文献

• Cheung, A., et al.: Nat. Cell Biol., 4, 83 (2002)
• Dentel, J.N., et al.: Am. J. Physiol. Cell Physiol., 288, C824 (2005)