SKF 83959 - Moligand™, ≥98% , CAS No.80751-85-5

CAS: 80751-85-5 Cat. No.: S647497 Summenformel: C₁₈H₂₀ClNO₂ Molekulargewicht: 317.81

GRADE & PURITY Moligand™, ≥98%

Synonyms

J489.412J | CHEBI:64001 | NCGC00015940-03 | 9-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol | Bio2_000839 | Diphenyl-propoxyessigsaeure-1-methylpiperidin-4-ylester | SKF-83,959 | 6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

J489.412J | CHEBI:64001 | NCGC00015940-03 | 9-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol | Bio2_000839 | Diphenyl-propoxyessigsaeure-1-methylpiperidin-4-ylester | SKF-83,959 | 6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-

Spezifikationen & Reinheit

Moligand™, ≥98%

Biochemische und physiologische Mechanismen

SKF83959 is a potent and selective dopamine D 1 -like receptor partial agonist. SKF83959 K i values for rat D 1 , D 5 , D 2 and D 3 receptors are 1.18, 7.56, 920 and 399 nM, respectively. SKF83959 is a potent allosteric modulator of sigma (σ)-1 receptor.

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

AGONIST

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: CC1=CC(=CC=C1)C2CN(CCC3=C(C(=C(C=C23)O)O)Cl)C
• IUPAC Name: 9-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
• InChIKey: JXMYTVOBSFOHAF-UHFFFAOYSA-N
• INCHI: 1S/C18H20ClNO2/c1-11-4-3-5-12(8-11)15-10-20(2)7-6-13-14(15)9-16(21)18(22)17(13)19/h3-5,8-9,15,21-22H,6-7,10H2,1-2H3
• Isomere SMILES: CC1=CC(=CC=C1)C2CN(CCC3=C(C(=C(C=C23)O)O)Cl)C
• WGK Deutschland: 3
• Molekulargewicht: 317.81

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzazepines
• Alternative Parents: Toluenes Azepines Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Trialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzazepine - 1-hydroxy-2-unsubstituted benzenoid - Azepine - Aralkylamine - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
• External Descriptors: tertiary amino compound - organochlorine compound - catechols - benzazepine

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)

DRD1 Tclin D(1A) dopamine receptor (0 Activities)

Discover Target: DRD1

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

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : ≥ 100 mg/mL (314.65 mM)
• Molekulargewicht: 317.800 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 317.118 Da
• Monoisotopic Mass: 317.118 Da
• Topological Polar Surface Area: 43.700 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 380.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1