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

CAS: 30827-99-7 Cat. No.: A301913 Fórmula: C₈H₁₀FNO₂S · HCl Peso molecular: 239.69 Beilstein Registry Number: 7604627 Número 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

Sinónimos

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) |

Especificações e pureza

10mg/ml in H2O

Mecanismos bioquímicos e fisiológicos

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

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

Pubchem Sid

528763030

Sorrisos canónicos

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

SMILES isoméricas

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

WGK Alemanha

3

PubChem CID

186136

Número UN

3261

Peso molecular

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
• Descrição: 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

Alvos associados (humanos)

F2 Tclin Thrombin (11687 Activities)

Discover Target: F2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PLG Tclin Plasminogen (2339 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CTSG Tchem Cathepsin G (2304 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CELA2A Pancreatic elastase (395 Activities)

Discover Target: CELA2A

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water 50 mg/mL or 100% ethanol.
• Sensibilidade: Moisture Sensitive
• Ponto de fusão (°C): 181-185°C
• Peso molecular: 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