AS-041164 - ≥98% , CAS No.6318-41-8

CAS: 6318-41-8 Cat. No.: A413436 Peso molecular: 249.2

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

AS 041164 is a potent inhibitor of PI 3-kinase with selectivity for the class IB isoform PI3Kγ (IC50 = 70 nM), compared to PI3Kα (IC50 = 240 nM), PI3Kβ (IC50 = 1.45 μM), and PI3Kδ (IC50 =1.70 μM). When tested at 1.0 μM, it shows little or no activity against 38 other common kinases. When given orally to mice, AS 041164 shows a pharmacokinetic profile that is similar to the general PI 3-kinase inhibitor LY294002 but is three times more potent (ED50 = 27.4 mg/kg for AS 041164 versus 81.6 mg/kg for LY294002) in blocking neutrophil recruitment induced by RANTES.

Specifications

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

AS-041164 is a potent inhibitor of PI 3-kinase.

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.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1OC2=C(O1)C=C(C=C2)C=C3C(=O)NC(=O)S3
• IUPAC Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidine-2,4-dione
• InChIKey: SDGWAUUPHUBJNQ-WTKPLQERSA-N
• INCHI: 1S/C11H7NO4S/c13-10-9(17-11(14)12-10)4-6-1-2-7-8(3-6)16-5-15-7/h1-4H,5H2,(H,12,13,14)/b9-4-
• Isómeros SMILES: C1OC2=C(O1)C=C(C=C2)/C=C/3\C(=O)NC(=O)S3
• CAS alternativo: 1146702-72-8
• Peso molecular: 249.2
• Reaxy-Rn: 219467
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=219467&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzodioxoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzodioxoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzodioxoles
• Alternative Parents: Thiazolidinediones Benzenoids Dicarboximides Thiocarbamic acid derivatives Organic carbonic acids and derivatives Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodioxole - Thiazolidinedione - Benzenoid - Dicarboximide - Thiazolidine - Thiocarbamic acid derivative - Carbonic acid derivative - Oxacycle - Azacycle - Acetal - Carboxylic acid derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
• 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: Soluble in DMSO (~25 mg/ml), dimethyl formamide (~25 mg/ml), and 1:9 ethanol:PBS(pH 7.2) (~0.1 mg/ml).
• Peso molecular: 249.240 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 249.01 Da
• Monoisotopic Mass: 249.01 Da
• Topological Polar Surface Area: 89.900 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 395.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1