4-(2-aminoethyl)benzene-1-sulfonyl fluoride hydrochloride

• ChemBase ID: 8881
• Molecular Formular: C8H11ClFNO2S
• Molecular Mass: 239.6948432
• Monoisotopic Mass: 239.0183055
• SMILES: c1cc(ccc1S(=O)(=O)F)CCN.Cl
• Canonical SMILES: NCCc1ccc(cc1)S(=O)(=O)F.Cl
• InChI: InChI=1S/C8H10FNO2S.ClH/c9-13(11,12)8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6,10H2;1H
• InChIKey: WRDABNWSWOHGMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-aminoethyl)benzene-1-sulfonyl fluoride hydrochloride
• IUPAC Traditional name: aebsf hydrochloride
• Synonyms: 4-(2-Aminoethyl)benzenesulfonyl fluoride hydrochloride; AEBSF; 4-(2-Aminoethyl)benzenesulphonyl fluoride hydrochloride 98+%; 4-(2-Aminoethyl)benzenesulfonyl fluoride hydrochloride; Pefabloc® SC; 4-(2-Aminoethyl)benzenesulfonyl fluoride hydrochloride; 4-(2-氨乙基)苯磺酰氟盐酸盐; 4-(2-氨乙基)苯磺酰氟 盐酸盐; 4-(2-氨乙基)苯磺酰氟 盐酸盐

Database IDs

• CAS Number: 30827-99-7
• MDL Number: MFCD00132962
• Beilstein Number: 7604627
• PubChem SID: 24278240; 160972188; 24886971
• PubChem CID: 186136

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9151559
• LogD (pH = 7.4): -0.80925053
• Log P: 1.0463892
• Molar Refractivity: 48.8456 cm^3
• Polarizability: 19.36221 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble50 mg/mL (stable for up to six months if stored refrigerated at a pH of less than 7. If a pH of greater than 7 is required, pH adjustment should be made just prior to use.)
• Melting Point: ~183 °C; 182-184°C; ca 184°C dec.

Safety Information

• Storage Warning: Corrosive; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 3261; UN3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2
• Storage Temperature: -20°C; 2-8°C

Product Information

• Purity: ≥97%; ≥98.0% (HPLC); 97%; 98%
• Grade: analytical standard
• Quality Level: PREMIUM
• Empirical Formula (Hill Notation): C8H10FNO2S · HCl

DETAILS

Apollo Scientific Ltd - PC5642

Molecular biology grade. An irreversible serine protease inhibitor with high water solubility

Sigma Aldrich - 76307

Application
Recommended concentrations for use are 0.1-1 mM.
Biochem/physiol Actions
Irreversible serine protease inhibitor. Inhibition constants are similar to those of PMSF and DFP. AEBSF has been shown to inhibit trypsin, chymotrypsin, plasmin kallikrein and thrombin. As an alternative to PMSF and DFP, AEBSF offers lower toxicity, improved solubility in water and improved stability in aqueous solutions. AEBSF has been used in cell culture in concentrations of up to 0.25 mM.
Other Notes
Potent and irreversible inhibitor of serine proteases; in contrast to PMSF, it is water soluble and non-toxic1,2; Unaffected by albumin3
Legal Information
Pefabloc is a registered trademark of Pentapharm

Sigma Aldrich - A8456

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
Recommended concentrations for use are 0.1-1 mM.
Biochem/physiol Actions
Irreversible serine protease inhibitor. Inhibition constants are similar to those of PMSF and DFP. AEBSF has been shown to inhibit trypsin, chymotrypsin, plasmin kallikrein and thrombin. As an alternative to PMSF and DFP, AEBSF offers lower toxicity, improved solubility in water and improved stability in aqueous solutions. AEBSF has been used in cell culture in concentrations of up to 0.25 mM.

REFERENCES

• Irreverersible serine protease inhibitor: Thromb. Res., 2, 343 (1973); Acta Biol. Med. Ger., 39, 355 (1980).