Elubrixin - Moligand™, ≥98% , Interleukin-8 receptor B antagonist, CAS No.688763-64-6, Interleukin-8 receptor B antagonist

CAS: 688763-64-6 Cat. No.: E610106 Summenformel: C₁₇H₁₇Cl₂FN₄O₄S Molekulargewicht: 463.31 EG-Nummer: 629-900-7 PubChem CID: 10479502

GRADE & PURITY Moligand™, ≥98%

Synonyms

1-(4-chloro-2-hydroxy-3-(piperazin-1-ylsulfonyl)phenyl)-3-(2-chloro-3-fluorophenyl)urea | SB-656933

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Elubrixin (SB-656933) inhibits neutrophil CD11b upregulation (IC50 of 260.7 nM) and shape change (IC50 of 310.5 nM).

Specifications

Synonyme

1-(4-chloro-2-hydroxy-3-(piperazin-1-ylsulfonyl)phenyl)-3-(2-chloro-3-fluorophenyl)urea | SB-656933

Spezifikationen & Reinheit

Moligand™, ≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Note

Moligand™

Aktionsart

ANTAGONIST

Mechanismus der Wirkung

Interleukin-8 receptor B antagonist

Reinheit

≥98%

Produkteigenschaften

• ALogP: 2.5

Namen und Kennungen

• Pubchem Sid: 528764392
• Kanonisches Lächeln: C1CN(CCN1)S(=O)(=O)C2=C(C=CC(=C2O)NC(=O)NC3=C(C(=CC=C3)F)Cl)Cl
• IUPAC Name: 1-(2-chloro-3-fluorophenyl)-3-(4-chloro-2-hydroxy-3-piperazin-1-ylsulfonylphenyl)urea
• InChIKey: YQYFEGTYCUQBEI-UHFFFAOYSA-N
• INCHI: 1S/C17H17Cl2FN4O4S/c18-10-4-5-13(23-17(26)22-12-3-1-2-11(20)14(12)19)15(25)16(10)29(27,28)24-8-6-21-7-9-24/h1-5,21,25H,6-9H2,(H2,22,23,26)
• Isomere SMILES: C1CN(CCN1)S(=O)(=O)C2=C(C=CC(=C2O)NC(=O)NC3=C(C(=CC=C3)F)Cl)Cl
• Alternative CAS-Nummer: 688763-64-6
• PubChem CID: 10479502
• MeSH-Eintrag: SB 656933;SB-656933;SB656933
• Molekulargewicht: 463.31

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: N-phenylureas Benzenesulfonyl compounds M-chlorophenols 1-hydroxy-4-unsubstituted benzenoids Fluorobenzenes Chlorobenzenes Piperazines Organosulfonamides Aryl chlorides Aryl fluorides Sulfonyls Ureas Azacyclic compounds Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - N-phenylurea - Benzenesulfonyl group - 3-halophenol - 3-chlorophenol - 1-hydroxy-4-unsubstituted benzenoid - Chlorobenzene - Fluorobenzene - Halobenzene - Phenol - Aryl chloride - Aryl fluoride - Aryl halide - 1,4-diazinane - Organosulfonic acid amide - Piperazine - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Urea - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Secondary amine - Organosulfur compound - Amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen 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

Zugehörige Ziele (menschlich)

CXCR2 Tchem C-X-C chemokine receptor type 2 (2 Activities)

Discover Target: CXCR2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CXCR2 Tchem Interleukin-8 receptor B (3491 Activities)

Discover Target: CXCR2

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

CXCR1 Tchem Interleukin-8 receptor A (2256 Activities)

Discover Target: CXCR1

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 463.300 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 462.033 Da
• Monoisotopic Mass: 462.033 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 677.000
• 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