7-fluoro-2,1,3-benzoxadiazole-4-sulfonamide

• ChemBase编号: 99992
• 分子式: C6H4FN3O3S
• 平均质量: 217.1776632
• 单一同位素质量: 216.99574022
• SMILES: o1nc2c(n1)c(ccc2S(=O)(=O)N)F
• Canonical SMILES: Fc1ccc(c2c1non2)S(=O)(=O)N
• InChI: InChI=1S/C6H4FN3O3S/c7-3-1-2-4(14(8,11)12)6-5(3)9-13-10-6/h1-2H,(H2,8,11,12)
• InChIKey: XROXHZMRDABMHS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-fluoro-2,1,3-benzoxadiazole-4-sulfonamide
• IUPAC传统名: 7-fluoro-2,1,3-benzoxadiazole-4-sulfonamide
• 别名: 7-氟苯呋咱-4-硫氨; 7-Fluoro-2,1,3-benzoxadiazole-4-sulphonamide; 4-(Aminosulphonyl)-7-fluoro-2,1,3-benzoxadiazole; 4-(Aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole; 4-Fluoro-7-sulfamoylbenzofurazan; 7-Fluorobenzofurazan-4-sulfonamide; 4-(Aminosulfonyl)-7-fluorobenzofurazane; 7-Fluoro-2,1,3-benzoxadiazole-4-sulfonamide; ABD-F; 4-Fluoro-7-sulfamoylbenzofurazan; 4-Fluoro-7-sulfamoylbenzofurazan;4-(Aminosulfonyl)-7-fluorobenzofurazane; 7-Fluorobenzofurazan-4-sulfonamide; 7-FLUORO-2,1,3-BENZOXA-DIAZOLE-4-SULFONAMIDE

登记号

• CAS号: 91366-65-3
• MDL号: MFCD00036687
• Beilstein号: 5035147
• PubChem SID: 24894854; 162086238
• PubChem CID: 122067

理论计算性质

• Acid pKa: 8.418635
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 0.07153747
• LogD (pH = 7.4): 0.036988888
• Log P: 0.07200121
• 摩尔折射率: 44.5091 cm^3
• 极化性: 18.164114 Å^3
• 极化表面积: 99.08 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: acetonitrile: soluble; DMSO; DMSO: soluble; Methanol; Water
• 外观: Pale Yellow Solid
• 熔点: 143-147°C; 144-146°C; 144-146°C
• 荧光: λex 375 nm; λem 521 nm (after derivatization with 2-mercaptoethanol)

安全信息

• 保存条件: 0°C; -20°C Freezer
• 保存注意事项: Irritant/Store under -20°C/Store under inert gas
• 德国WGK号: 3
• TSCA收录: 否
• 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: 98%
• 级别: for fluorescence
• Empirical Formula (Hill Notation): C6H4FN3O3S

详细说明

MP Biomedicals - 02158090

Reagent for fluorimetric assay of thiols.

Apollo Scientific Ltd - PC8114

A water soluble bifunctional fluorogenic reagent for the sensitive & specific detection of thiols.

Sigma Aldrich - F3639

Application
Reagent for fluorimetric assay of thiols.

Sigma Aldrich - 17385

Other Notes
Fluorogenic reagent for the labeling of thiols for HPLC; it reacts 30 times faster than SBD-F1,2

Toronto Research Chemicals - A629400

A water soluble pH dependent bifunctional fluorogenic reagent for the sensitive and specific detection of protein thiols. ABD-F is highly reactive and specific for protein thiols, and its selectivity is superior to that of other sulfhydryl-reactive fluor

参考文献

• Toyooka, T. and Imai, K., Anal. Chem., 56: 2461 (1984).
• Hiratsuka., T.,: J. Biol. Chem., 268, 24742 (1993)
• Treuheit, M.J., et al.: Anal. Biochem., 212, 138 (1993)
• Takeda., S., et al.: Trans. Mater. Res. Soc. Jpn., 15A, 509 (1993)
• Tukushima, T., et al.: Biomed. Chromatogr., 9, 10 (1993)
• Takeda., S., et al.: