BIRT 377 - Moligand™, ≥98%(HPLC) , Inhibitor of integrin; alpha L subunit (antigen CD11A (p180); lymphocyte function-associated antigen 1; alpha polypeptide), CAS No.213211-10-0, Inhibitor of integrin; alpha L subunit (antigen CD11A (p180); lymphocyte function-associated antigen 1; alpha polypeptide)

CAS: 213211-10-0 Cat. No.: B287562 Summenformel: C₁₈H₁₅BrCl₂N₂O₂ Molekulargewicht: 442.13

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

(5R)-5-[(4-Bromphenyl)methyl]-3-(3,5-dichlorphenyl)-1,5-dimethyl-2,4-imidazolidindion

Storage

Lagerung bei 2-8°C

Shipped In

Nasses Eis

Specifications

Synonyme

(5R)-5-[(4-Bromphenyl)methyl]-3-(3,5-dichlorphenyl)-1,5-dimethyl-2,4-imidazolidindion

Spezifikationen & Reinheit

Moligand™, ≥98%(HPLC)

Biochemische und physiologische Mechanismen

Starker negativer allosterischer Modulator von LFA-1 (Lymphozytenfunktion-assoziiertes Antigen-1) (Kd= 26 nM). Bindet an die I-Domäne von LFA-1. Reversible Hemmung der durch LFA-1 vermittelten Bindung von SKW3-Leukämiezellen an ICAM-1. Hemmt die Superanti

Storage

Lagerung bei 2-8°C

Verschickt in

Nasses Eis

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inhibitor of integrin; alpha L subunit (antigen CD11A (p180); lymphocyte function-associated antigen 1; alpha polypeptide)

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Kanonisches Lächeln: CC1(C(=O)N(C(=O)N1C)C2=CC(=CC(=C2)Cl)Cl)CC3=CC=C(C=C3)Br
• IUPAC Name: (5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-1,5-dimethylimidazolidine-2,4-dione
• InChIKey: FJNJHZQMQRVZEE-GOSISDBHSA-N
• INCHI: 1S/C18H15BrCl2N2O2/c1-18(10-11-3-5-12(19)6-4-11)16(24)23(17(25)22(18)2)15-8-13(20)7-14(21)9-15/h3-9H,10H2,1-2H3/t18-/m1/s1
• Isomere SMILES: C[C@]1(C(=O)N(C(=O)N1C)C2=CC(=CC(=C2)Cl)Cl)CC3=CC=C(C=C3)Br
• MeSH-Eintrag: (R)-5-(4-bromophenyl)-3-(3,5-dichlorophenyl)-1,5-dimethyl-imidazolidine-2,4-dione;BIRT 377
• Molekulargewicht: 442.13
• Reaxy-Rn: 46709554
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=46709554&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azolidines
      • Subclass Imidazolidines
        • Ebene5 Imidazolidinones
          • Ebene6 Imidazolidinediones
            • Ebene7 Hydantoins
              • Ebene8 Phenylhydantoins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Imidazolidinones - Imidazolidinediones - Hydantoins
• Direct Parent: Phenylhydantoins
• Alternative Parents: Phenylimidazolidines Alpha amino acids and derivatives Amphetamines and derivatives Dichlorobenzenes Bromobenzenes N-acyl ureas Aryl bromides Aryl chlorides Dicarboximides Azacyclic compounds Carbonyl compounds Organic oxides Organopnictogen compounds Organobromides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylhydantoin - Phenylimidazolidine - Alpha-amino acid or derivatives - Amphetamine or derivatives - 1,3-dichlorobenzene - Halobenzene - N-acyl urea - Chlorobenzene - Bromobenzene - Ureide - Aryl bromide - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Dicarboximide - Carbonic acid derivative - Urea - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylhydantoins. These are heterocyclic aromatic compounds containing an imiazolidinedione moiety substituted by a phenyl group.
• 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)

ITGAL Tclin Integrin alpha-L (1 Activities)

Discover Target: ITGAL

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

Cell line (371 Activities)

Explore this target

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

ITGAL Tclin Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 (760 Activities)

Discover Target: ITGAL

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

Zugehörige Ziele (nicht menschlich)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 44.21, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 22.11, Max Conc. mM: 50
• Molekulargewicht: 442.100 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 439.969 Da
• Monoisotopic Mass: 439.969 Da
• Topological Polar Surface Area: 40.600 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 531.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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