SB-408124 Hydrochloride - ≥98% , CAS No.1431697-90-3

CAS: 1431697-90-3 Cat. No.: S648569 Peso molecular: 392.83 PubChem CID: 71576692

GRADE & PURITY ≥98%

Synonyms

N-(6,8-Difluoro-2-methyl-4-quinolinyl)-N'-[4-(dimethylamino)phenyl]urea hydrochloride | F84881 | MS-26581 | SB-408124 HCl | SB-408124 Hydrochloride | AKOS030526528 | SB-408124 (Hydrochloride) | 1-(6,8-difluoro-2-methylquinolin-4-yl)-3-[4-(dimethylamino)ph

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Descripción general

SB-408124 Hydrochloride is a selective non-peptide orexin receptor 1 (OX1) receptor antagonist with K i s of 57 nM and 27 nM in whole cell and membrane, respectively. SB-408124 Hydrochloride exhibits 50-fold selectivity over OX2 receptor

In Vitro

Primary neuronal cultures from the hypothalamus of newborn SD rats are incubated with orexin A (1 µM), orexin A (1 µM) together with SB-408124 (100 µM) for 6 h. Orexin A-induced increases in arginine Vasotocin (AVP) mRNA levels (2.7-fold) are attenuated by SB-408124 (1.2-fold). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

SB-408124 reduces anxiety after psychotraumatic exposure. Predator induces acute psychotraumatic exposure decrease corticoliberin level in the rat's amygdala. Intranasal administration of SB-408124 restores it closely to normal and has an anxiolytic effect on animal behaviour. Bilateral paraventricular nucleus microinjection of SB-408124 (30 pmol/50 nL per side) results in a greater reduction in mean arterial pressure (MAP) in high-salt intake (-16 mmHg) compared with NS-fed (-4 mmHg) anesthetized Dahl salt-sensitive rats. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:OX 1 Receptor 57 nM (Ki, in whole cell ) OX 1 Receptor 27 nM (Ki, in cell membrane)

Specifications

Sinónimos

N-(6, 8-Difluoro-2-methyl-4-quinolinyl)-N'-[4-(dimethylamino)phenyl]urea hydrochloride | F84881 | MS-26581 | SB-408124 HCl | SB-408124 Hydrochloride | AKOS030526528 | SB-408124 (Hydrochloride) | 1-(6, 8-difluoro-2-methylquinolin-4-yl)-3-[4-(dimethylamino)ph

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

SB-408124 Hydrochloride is a selective non-peptide orexin receptor 1 (OX1) receptor antagonist with K i s of 57 nM and 27 nM in whole cell and membrane, respectively. SB-408124 Hydrochloride exhibits 50-fold selectivity over OX2 receptor.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=C2C=C(C=C(C2=N1)F)F)NC(=O)NC3=CC=C(C=C3)N(C)C.Cl
• IUPAC Name: 1-(6,8-difluoro-2-methylquinolin-4-yl)-3-[4-(dimethylamino)phenyl]urea;hydrochloride
• InChIKey: DIHXPSGMLOETTI-UHFFFAOYSA-N
• INCHI: 1S/C19H18F2N4O.ClH/c1-11-8-17(15-9-12(20)10-16(21)18(15)22-11)24-19(26)23-13-4-6-14(7-5-13)25(2)3;/h4-10H,1-3H3,(H2,22,23,24,26);1H
• Isómeros SMILES: CC1=CC(=C2C=C(C=C(C2=N1)F)F)NC(=O)NC3=CC=C(C=C3)N(C)C.Cl
• CAS alternativo: 1431697-90-3
• PubChem CID: 71576692
• Peso molecular: 392.83

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Haloquinolines
• Alternative Parents: N-phenylureas Dialkylarylamines Aniline and substituted anilines Methylpyridines Aryl fluorides Heteroaromatic compounds Ureas Azacyclic compounds Organofluorides Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - N-phenylurea - Aniline or substituted anilines - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Methylpyridine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary amine - Urea - Azacycle - Hydrochloride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as haloquinolines. These are compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen atom.
• 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

Propiedades químicas y físicas

• Solubilidad: H2O : 1 mg/mL (2.55 mM; ultrasonic and warming and heat to 60°C) DMSO : <1 mg/mL (ultrasonic;warming;heat to 60°C) (insoluble or slightly soluble)
• Peso molecular: 392.800 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 392.122 Da
• Monoisotopic Mass: 392.122 Da
• Topological Polar Surface Area: 57.300 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 484.000
• 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: 2

XLogP3