Ebrotidine - ≥98% , Urease inhibitor, CAS No.100981-43-9, Urease inhibitor

CAS: 100981-43-9 Cat. No.: E127604 Summenformel: C₁₄H₁₇BrN₆O₂S₃ Molekulargewicht: 477.42 PubChem CID: 65869

GRADE & PURITY ≥98%

Synonyms

Ebrotidinum | Benzenesulfonamide, N-(((2-(((2-((aminoiminomethyl)amino)-4-thiazolyl)methyl)thio)ethyl)amino)methylene)-4-bromo-, (E)- | F84941 | Q5332065 | p-Bromo-N-(((2-(((2-((diaminomethylene)amino)-4-thiazolyl)methyl)thio)ethyl)amino)methylene)benzene

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

Ebrotidinum | Benzenesulfonamide, N-(((2-(((2-((aminoiminomethyl)amino)-4-thiazolyl)methyl)thio)ethyl)amino)methylene)-4-bromo-, (E)- | F84941 | Q5332065 | p-Bromo-N-(((2-(((2-((diaminomethylene)amino)-4-thiazolyl)methyl)thio)ethyl)amino)methylene)benzene

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

Description:
IC50 Value: 127.5nM(Ki)[1]; 0.21mg/kg (ED50, histamine- stimulated acid secretion) [2]
Ebrotidine is a competitive H2-receptor antagonist with a potent antisecretory activity and evidenced gastroprotection.
in

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

ANTAGONIST

Mechanismus der Wirkung

Urease inhibitor

Reinheit

≥98%

Produkteigenschaften

ALogP

1.5

Namen und Kennungen

Kanonisches Lächeln

C1=CC(=CC=C1S(=O)(=O)NC=NCCSCC2=CSC(=N2)N=C(N)N)Br

IUPAC Name

N-(4-bromophenyl)sulfonyl-N'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanimidamide

InChIKey

ZQHFZHPUZXNPMF-UHFFFAOYSA-N

INCHI

1S/C14H17BrN6O2S3/c15-10-1-3-12(4-2-10)26(22,23)19-9-18-5-6-24-7-11-8-25-14(20-11)21-13(16)17/h1-4,8-9H,5-7H2,(H,18,19)(H4,16,17,20,21)

Isomere SMILES

C1=CC(=CC=C1S(=O)(=O)NC=NCCSCC2=CSC(=N2)N=C(N)N)Br

PubChem CID

65869

Molekulargewicht

477.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds 2,4-disubstituted thiazoles Bromobenzenes Aryl bromides Aminosulfonyl compounds Organosulfonic acids and derivatives Heteroaromatic compounds Guanidines Sulfenyl compounds Formamidines Dialkylthioethers Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organobromides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - 2,4-disubstituted 1,3-thiazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Azole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiazole - Aminosulfonyl compound - Guanidine - Thioether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Dialkylthioether - Organoheterocyclic compound - Sulfenyl compound - Amidine - Formamidine - Azacycle - Organosulfur compound - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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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Homo sapiens (32628 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: 25°C: DMSO
• Molekulargewicht: 477.400 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 475.976 Da
• Monoisotopic Mass: 475.976 Da
• Topological Polar Surface Area: 198.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 586.000
• 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: 1