AEBSF Solution - 10mg/ml in H2O , CAS No.30827-99-7

CAS: 30827-99-7 Cat. No.: A301913 Formule: C₈H₁₀FNO₂S · HCl Poids moléculaire: 239.69 Beilstein Registry Number: 7604627 Numéro CE: 608-547-2 PubChem CID: 186136

GRADE & PURITY 10mg/ml in H2O

Synonyms

Benzenesulfonyl fluoride, 4-(2-aminoethyl)-, hydrochloride | DHA6VL95HL | 4-(2-aminoethyl)benzenesulfonyl fluoride hydrochloride [for biochemical research] | EX-A2487 | T70748 | AKOS015847774 | Pefabloc(R) SC, certified reference material, TraceCERT(R) |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

Benzenesulfonyl fluoride, 4-(2-aminoethyl)-, hydrochloride | DHA6VL95HL | 4-(2-aminoethyl)benzenesulfonyl fluoride hydrochloride [for biochemical research] | EX-A2487 | T70748 | AKOS015847774 | Pefabloc(R) SC, certified reference material, TraceCERT(R) |

Spécifications et pureté

10mg/ml in H2O

Mécanismes biochimiques et physiologiques

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, impr

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Pubchem Sid

528763030

Sourires canoniques

C1=CC(=CC=C1CCN)S(=O)(=O)F.Cl

IUPAC Name

4-(2-aminoethyl)benzenesulfonyl fluoride;hydrochloride

InChIKey

WRDABNWSWOHGMS-UHFFFAOYSA-N

INCHI

1S/C8H10FNO2S.ClH/c9-13(11,12)8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6,10H2;1H

Isomères SMILES

C1=CC(=CC=C1CCN)S(=O)(=O)F.Cl

WGK Allemagne

3

PubChem CID

186136

Numéro ONU

3261

Poids moléculaire

239.69

Beilstein

7604627

Reaxy-Rn

7604627

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenethylamines
• Alternative Parents: Benzenesulfonyl compounds 2-arylethylamines Aralkylamines Sulfonyls Sulfonyl fluorides Organosulfonic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenethylamine - Benzenesulfonyl group - 2-arylethylamine - Aralkylamine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl fluoride - Sulfonyl halide - Sulfonyl - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary amine - Amine - Organosulfur compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water 50 mg/mL or 100% ethanol.
• Sensibilité: Moisture Sensitive
• Point de fusion (°C): 181-185°C
• Poids moléculaire: 239.700 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 239.018 Da
• Monoisotopic Mass: 239.018 Da
• Topological Polar Surface Area: 68.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 239.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3