LUF6096(CF-602) - Moligand™,≥99% , CAS No.1116652-18-6

CAS: 1116652-18-6 Cat. No.: L649241 Summenformel: C₂₂H₂₁Cl₂N₃O Molekulargewicht: 414.33 PubChem CID: 25191023

GRADE & PURITY Moligand™, ≥99%

Synonyms

Q27287547 | CF602 | CF-602 | N-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclohexanecarboxamide | N-[2-[(3,4-Dichlorophenyl)amino]-4-quinolinyl]-cyclohexanecarboxamide | 1116652-18-6 | DTXSID60149702 | QXA2220N3T | UNII-QXA2220N3T | Cyclohexanecarboxamide, N-

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

LUF6096 (CF-602) is a potent allosteric enhancer of the adenosine A3 receptor, exhibiting the capability to enhance agonist binding allosterically while demonstrating low orthosteric affinity across adenosine receptors. It displays protective effects in myocardial ischemia/reperfusion injury.

Specifications

Synonyme

Q27287547 | CF602 | CF-602 | N-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclohexanecarboxamide | N-[2-[(3,4-Dichlorophenyl)amino]-4-quinolinyl]-cyclohexanecarboxamide | 1116652-18-6 | DTXSID60149702 | QXA2220N3T | UNII-QXA2220N3T | Cyclohexanecarboxamide, N-

Spezifikationen & Reinheit

Moligand™,≥99%

Biochemische und physiologische Mechanismen

LUF6096, a potent allosteric enhancer of the adenosine A3 receptor , is able to allosterically enhance agonist binding. LUF6096 shows low orthosteric affinity for any of the adenosine receptors. LUF6096 shows protective effects in myocardial ischemia/repe

Storage

Store at 2-8°C

Verschickt in

Wet ice

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

Note

Moligand™

Aktionsart

AGONIST

Reinheit

≥99%

Namen und Kennungen

• Kanonisches Lächeln: C1CCC(CC1)C(=O)NC2=CC(=NC3=CC=CC=C32)NC4=CC(=C(C=C4)Cl)Cl
• IUPAC Name: N-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclohexanecarboxamide
• InChIKey: UWEIQVQNNLVOEI-UHFFFAOYSA-N
• INCHI: 1S/C22H21Cl2N3O/c23-17-11-10-15(12-18(17)24)25-21-13-20(16-8-4-5-9-19(16)26-21)27-22(28)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H2,25,26,27,28)
• Isomere SMILES: C1CCC(CC1)C(=O)NC2=CC(=NC3=CC=CC=C32)NC4=CC(=C(C=C4)Cl)Cl
• Alternative CAS-Nummer: 1116652-18-6
• PubChem CID: 25191023
• Molekulargewicht: 414.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminoquinolines and derivatives
• Alternative Parents: N-arylamides Dichlorobenzenes Aniline and substituted anilines Aminopyridines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Secondary amines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aminoquinoline - 1,2-dichlorobenzene - N-arylamide - Aniline or substituted anilines - Aminopyridine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Azacycle - Secondary amine - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.
• 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)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 20 mg/mL (48.27 mM; ultrasonic and warming and heat to 60°C)
• Molekulargewicht: 414.300 g/mol
• XLogP3: 6.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 413.106 Da
• Monoisotopic Mass: 413.106 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 528.000
• 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