5-(dimethylamino)-N-[2-(methanesulfonylsulfanyl)ethyl]naphthalene-1-sulfonamide

• ChemBase编号: 154093
• 分子式: C15H20N2O4S3
• 平均质量: 388.5253
• 单一同位素质量: 388.05852013
• SMILES: CN(C)c1cccc2c1cccc2S(=O)(=O)NCCSS(=O)(=O)C
• Canonical SMILES: CN(c1cccc2c1cccc2S(=O)(=O)NCCSS(=O)(=O)C)C
• InChI: InChI=1S/C15H20N2O4S3/c1-17(2)14-8-4-7-13-12(14)6-5-9-15(13)24(20,21)16-10-11-22-23(3,18)19/h4-9,16H,10-11H2,1-3H3
• InChIKey: ZKELPZYUWUFQLZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-(dimethylamino)-N-[2-(methanesulfonylsulfanyl)ethyl]naphthalene-1-sulfonamide
• IUPAC传统名: 5-(dimethylamino)-N-[2-(methanesulfonylsulfanyl)ethyl]naphthalene-1-sulfonamide
• 别名: 2-(5-Dimethylamino1-naphthylsulfonamido)ethyl methanethiosulfonate; MTS-Dansyl; Dansylamidoethyl methanethiosulfonate; 2-(5-Dimethylaminonaphth-1-ylsulfonamido)ethyl Methanethiosulfonate; Methanesulfonothioic Acid S-[2-[[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]amino]ethyl]ester; Dansylamidoethyl Methanethiosulfonate

登记号

• CAS号: 355115-41-2
• PubChem SID: 162248232
• PubChem CID: 3307199

理论计算性质

• Acid pKa: 9.911227
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 1.3580209
• LogD (pH = 7.4): 1.4108603
• Log P: 1.4127781
• 摩尔折射率: 99.6455 cm^3
• 极化性: 40.767265 Å^3
• 极化表面积: 83.55 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Dichlormethane; DMSO; Ethyl Acetate; Methanol
• 外观: Yellow Solid
• 熔点: 94-97°C
• 荧光: λem 510-530 nm

安全信息

• 保存条件: Amber Vial, -20°C Freezer
• 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

产品相关信息

• 纯度: ≥75.0% (coupling rate)
• 有效期: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C15H20N2O4S3

详细说明

Toronto Research Chemicals - D173500

Reacts specifically and rapidly with thiols to form mixed disulfides. Used to probe the structures of the ACh receptor channel, the GABAA receptor channel, and lactose permease.Fluorescence: max. Abs. 335nm; max. Em. 526nm; e x 10-3: 4.1

参考文献

• Xu, M., et al.: J. Biol. Chem., 268, 21505 (1993)
• Duhten, R.L., et al.: Biochemistry, 32, 3139 (1993)
• Yang, N. et al.: Neuron., 16, 113 (1993)