GSK256066 Trifluoroacetate - ≥99% , CAS No.1415560-64-3

CAS: 1415560-64-3 Cat. No.: G650639 Peso molecular: 632.61 PubChem CID: 71576691

GRADE & PURITY ≥99%

Synonyms

AKOS030526502 | GSK256066 (2,2,2-trifluoroacetic acid) | HY-70069 | MS-30869 | Trifluoroacetic acid--6-[3-(dimethylcarbamoyl)benzene-1-sulfonyl]-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide (1/1) | 1415560-64-3 | F84904 | GSK256066 (Trifluoroaceta

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Descripción general

GSK256066 Trifluoroacetate is a selective and high-affinity phosphodiesterase 4 (PDE) inhibitor, with an IC 50 of 3.2 pM for PDE4B. GSK256066 Trifluoroacetate is developed for the research of chronic obstructive pulmonary disease

In Vitro

GSK256066 Trifluoroacetate is an exceptionally high-affinity inhibitor of PDE4 designed for inhaled administration. GSK256066 Trifluoroacetate is highly selective for PDE4, with >380,000-fold versus PDE1/2/3/5/6 and >2500-fold against PDE7, and inhibits PDE4 isoforms A-D with equal affinity. GSK256066 Trifluoroacetate inhibits tumor necrosis factor α production by lipopolysaccharide (LPS)-stimulated human peripheral blood monocytes with IC 50 of 0.01 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

GSK256066 Trifluoroacetate (0.3-100 μg/kg; intratracheally) inhibits the eosinophil number increased in the bronchoalveolar lavage (BAL) in a dose-dependent fashion, in lipopolysaccharide (LPS)- and ovalbumin (OVA)-induced acute pulmonary inflammation rat models.. GSK256066 Trifluoroacetate inhibits LPS-induced pulmonary neutrophilia, and no emetic episodes are observed in ferrets. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male Brown Norway rats(180-200 g)Dosage: 0.3-100 μg/kg Administration: Intratracheally; 30 minutes before and 6 hours after ovalbumin challenge Result: Inhibited the increase in eosinophil number in the BAL in a dose-dependent fashion.

Form:Solid

IC50& Target:IC50: 3.2 pM (PDE4B)

Specifications

Sinónimos

AKOS030526502 | GSK256066 (2, 2, 2-trifluoroacetic acid) | HY-70069 | MS-30869 | Trifluoroacetic acid--6-[3-(dimethylcarbamoyl)benzene-1-sulfonyl]-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide (1/1) | 1415560-64-3 | F84904 | GSK256066 (Trifluoroaceta

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

GSK256066 Trifluoroacetate is a selective and high-affinity phosphodiesterase 4 (PDE) inhibitor, with an IC 50 of 3.2 pM for PDE4B. GSK256066 Trifluoroacetate is developed for the research of chronic obstructive pulmonary disease.

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.

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=CC2=C(C(=CN=C12)C(=O)N)NC3=CC(=CC=C3)OC)S(=O)(=O)C4=CC=CC(=C4)C(=O)N(C)C.C(=O)(C(F)(F)F)O
• IUPAC Name: 6-[3-(dimethylcarbamoyl)phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide;2,2,2-trifluoroacetic acid
• InChIKey: PTTKEASHQDSBJR-UHFFFAOYSA-N
• INCHI: 1S/C27H26N4O5S.C2HF3O2/c1-16-11-21(37(34,35)20-10-5-7-17(12-20)27(33)31(2)3)14-22-24(16)29-15-23(26(28)32)25(22)30-18-8-6-9-19(13-18)36-4;3-2(4,5)1(6)7/h5-15H,1-4H3,(H2,28,32)(H,29,30);(H,6,7)
• Isómeros SMILES: CC1=CC(=CC2=C(C(=CN=C12)C(=O)N)NC3=CC(=CC=C3)OC)S(=O)(=O)C4=CC=CC(=C4)C(=O)N(C)C.C(=O)(C(F)(F)F)O
• CAS alternativo: 1415560-64-3
• PubChem CID: 71576691
• Peso molecular: 632.61

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Quinoline carboxamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Quinoline carboxamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline-3-carboxamides
• Alternative Parents: 4-aminoquinolines Aminophenyl ethers Pyridinecarboxylic acids and derivatives Benzamides Benzenesulfonyl compounds Methoxyanilines Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Aminopyridines and derivatives Primary aromatic amines Tertiary carboxylic acid amides Alpha-halocarboxylic acids Heteroaromatic compounds Sulfones Vinylogous amides Amino acids and derivatives Tertiary amines Primary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Secondary amines Azacyclic compounds Organic oxides Carbonyl compounds Organofluorides Alkyl fluorides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Quinoline-3-carboxamide - Aminoquinoline - 4-aminoquinoline - Benzamide - Benzoic acid or derivatives - Pyridine carboxylic acid or derivatives - Methoxyaniline - Benzenesulfonyl group - Aminophenyl ether - Phenoxy compound - Benzoyl - Methoxybenzene - Aniline or substituted anilines - Anisole - Phenol ether - Alkyl aryl ether - Aminopyridine - Monocyclic benzene moiety - Benzenoid - Primary aromatic amine - Pyridine - Alpha-halocarboxylic acid - Vinylogous amide - Tertiary carboxylic acid amide - Heteroaromatic compound - Sulfonyl - Sulfone - Alpha-halocarboxylic acid or derivatives - Tertiary amine - Carboxamide group - Amino acid or derivatives - Primary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Secondary amine - Organic oxygen compound - Alkyl fluoride - Carbonyl group - Organohalogen compound - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Alkyl halide - Organic oxide - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinoline-3-carboxamides. These are quinolines in which the quinoline ring system is substituted by one carboxamide group at the 3-position.
• 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: DMSO : 25 mg/mL (39.52 mM; Need ultrasonic)
• Peso molecular: 632.600 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 632.155 Da
• Monoisotopic Mass: 632.155 Da
• Topological Polar Surface Area: 177.000 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 1010.000
• 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

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