LUF6000 - Moligand™, ≥98% , Allosteric modulator of A 3 receptor, CAS No.890087-21-5, Allosteric modulator of A 3 receptor

CAS: 890087-21-5 Cat. No.: L127479 Peso molecular: 411.33

GRADE & PURITY Moligand™, ≥98%

Synonyms

HY-13236 | BCP25002 | LUF 6000 | MS-27099 | DTXSID30470994 | F84893 | N-(3,4-dichloro-phenyl)-2-cyclohexyl-1H-imidazo[4,5-c]quinolin-4-amine | GTPL9446 | NCGC00378900-01 | SCHEMBL936823 | A923164 | BDBM50588808 | LUF6000 | LUF-6000 | 2-cyclohexyl-N-(3,4-d

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

HY-13236 | BCP25002 | LUF 6000 | MS-27099 | DTXSID30470994 | F84893 | N-(3, 4-dichloro-phenyl)-2-cyclohexyl-1H-imidazo[4, 5-c]quinolin-4-amine | GTPL9446 | NCGC00378900-01 | SCHEMBL936823 | A923164 | BDBM50588808 | LUF6000 | LUF-6000 | 2-cyclohexyl-N-(3, 4-d

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

LUF6000 is an allosteric modulator of the human A3 adenosine receptor (AR). LUF6000 was found to be an allosteric enhancer of Emax of structurally diverse agonists at the A3 AR, being more effective for low-Emax agonists than for high-Ema

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

ALLOSTERIC MODULATOR

Mecanismo de acción

Allosteric modulator of A 3 receptor

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CCC(CC1)C2=NC3=C(N2)C(=NC4=CC=CC=C43)NC5=CC(=C(C=C5)Cl)Cl
• IUPAC Name: 2-cyclohexyl-N-(3,4-dichlorophenyl)-3H-imidazo[4,5-c]quinolin-4-amine
• InChIKey: UWJVRSIGHHSDSJ-UHFFFAOYSA-N
• INCHI: 1S/C22H20Cl2N4/c23-16-11-10-14(12-17(16)24)25-22-20-19(15-8-4-5-9-18(15)26-22)27-21(28-20)13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2,(H,25,26)(H,27,28)
• Isómeros SMILES: C1CCC(CC1)C2=NC3=C(N2)C(=NC4=CC=CC=C43)NC5=CC(=C(C=C5)Cl)Cl
• CAS alternativo: 890087-21-5
• Términos de entrada MeSH: LUF 6000;LUF-6000;LUF6000;N-(3,4-dichlorophenyl)-2-cyclohexyl-1H-imidazo(4,5-c)quinolin-4-amine
• Peso molecular: 411.33
• Reaxy-Rn: 19773137
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19773137&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Imidazoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Imidazoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazoquinolines
• Alternative Parents: Aminoquinolines and derivatives Imidazo-[4,5-c]pyridines Dichlorobenzenes Aniline and substituted anilines Aminopyridines and derivatives Imidolactams Aryl chlorides Imidazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazoquinoline - Aminoquinoline - Imidazopyridine - Imidazo-[4,5-c]pyridine - 1,2-dichlorobenzene - Aniline or substituted anilines - Aminopyridine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Pyridine - Benzenoid - Imidazole - Heteroaromatic compound - Azole - Azacycle - Secondary amine - Hydrocarbon derivative - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as imidazoquinolines. These are aromatic heterocyclic compounds containing an imidazole ring fused to a quinoline ring system. In some configurations, the imidazole ring shares a nitrogen atom with the quinoline moiety.
• 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

Objetivos asociados (humanos)

ADORA3 Tchem Adenosine receptor A3 (0 Activities)

Discover Target: ADORA3

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

ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

Discover Target: ADORA1

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

ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

Discover Target: ADORA2A

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

ADORA2B Tclin Adenosine A2b receptor (7672 Activities)

Discover Target: ADORA2B

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO: 14.29 mg/mL (34.74 mM), Sonication is recommended.
• Peso molecular: 411.300 g/mol
• XLogP3: 7.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 410.107 Da
• Monoisotopic Mass: 410.107 Da
• Topological Polar Surface Area: 53.600 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 529.000
• 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