AEBSF Solution - 50mg/ml in H2O , CAS No.30827-99-7

CAS: 30827-99-7 Cat. No.: A301905 분자식: C₈H₁₀FNO₂S · HCl 분자량: 239.69 Beilstein Registry Number: 7604627 EC 번호: 608-547-2 PubChem CID: 186136

GRADE & PURITY 50mg/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

동의어

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) |

사양 및 순도

50mg/ml in H2O

생화학 및 생리적 메커니즘

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

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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이름과 식별자

Pubchem Sid

528763031

정식 스마일

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

이성체 SMILES

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

WGK 독일

3

PubChem CID

186136

UN 번호

3261

분자량

239.69

Beilstein

7604627

Reaxy-Rn

7604627

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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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KCNH2 Tclin HERG (29587 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water 50 mg/mL or 100% ethanol.
• 감도: Moisture Sensitive
• 녹는점(°C): 181-185°C
• 분자량: 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