AS-604850 - Moligand™, ≥98% , Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit gamma, CAS No.648449-76-7, Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit gamma

CAS: 648449-76-7 Cat. No.: A129517 Peso molecular: 285.22 Número EC: 636-351-7

GRADE & PURITY Moligand™, ≥98%

Synonyms

(E)-5-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)methylene)thiazolidine-2,4-dione | AS604850 | AS-604850 | HY-13531 | (5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLIDENE]-1,3-THIAZOLIDINE-2,4-DIONE | NCGC00387765-03 | C76032 | 5-(2,2-difluorobenzo(1,3)diox

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Descripción general

AS-604850 es un inhibidor selectivo, ATP-competitivo de PI3Kγ con IC50 de 250 nM, más de 80 veces selectivo para PI3Kγ que para PI3Kδ/β, y 18 veces más selectivo para PI3Kγ que para PI3Kα.
Un inhibidor ATP-competitivo de PI 3-quinasa γ.

Specifications

Sinónimos

(E)-5-((2, 2-difluorobenzo[d][1, 3]dioxol-5-yl)methylene)thiazolidine-2, 4-dione | AS604850 | AS-604850 | HY-13531 | (5E)-5-[(2, 2-DIFLUORO-1, 3-BENZODIOXOL-5-YL)METHYLIDENE]-1, 3-THIAZOLIDINE-2, 4-DIONE | NCGC00387765-03 | C76032 | 5-(2, 2-difluorobenzo(1, 3)diox

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

AS-604850 es un inhibidor potente, permeable a las células y competitivo con ATP de la PI 3-quinasa γ (PI(3)Kγ). AS-604850 también muestra selectividad sobre otras isoformas de PI 3-quinasa. AS-604850 es un inhibidor de PI 3-quinasa y PI 3-quinasa p55 γ,

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit gamma

Nota

Siempre que sea posible, prepare y utilice las soluciones el mismo día. Sin embargo, si necesita preparar soluciones madre con antelación, le recomendamos que almacene la solución como alícuotas en viales herméticamente cerrados a -20°C. Por lo general, podrán utilizarse durante un mes. Antes de su uso, y antes de abrir el vial, le recomendamos que deje que el producto se equilibre a temperatura ambiente durante al menos 1 hora. ¿Necesita más consejos sobre solubilidad, uso y manipulación? Visite nuestra página de preguntas frecuentes (FAQ) para obtener más información.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504766482
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766482
• Sonrisas canónicas: C1=CC2=C(C=C1C=C3C(=O)NC(=O)S3)OC(O2)(F)F
• IUPAC Name: (5E)-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
• InChIKey: SRLVNYDXMUGOFI-XBXARRHUSA-N
• INCHI: 1S/C11H5F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-4H,(H,14,15,16)/b8-4+
• Isómeros SMILES: C1=CC2=C(C=C1/C=C/3\C(=O)NC(=O)S3)OC(O2)(F)F
• WGK Alemania: 3
• Peso molecular: 285.22
• Reaxy-Rn: 11711304
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11711304&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 Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodioxole - Thiazolidinedione - Benzenoid - Dicarboximide - Thiazolidine - Thiocarbamic acid derivative - Carboxylic acid derivative - Oxacycle - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl fluoride - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - 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

Objetivos asociados (humanos)

PIK3CG Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (1 Activities)

Discover Target: PIK3CG

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

PIK3CA Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (1 Activities)

Discover Target: PIK3CA

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

PIK3CD Tclin PI3-kinase p110-delta subunit (6699 Activities)

Discover Target: PIK3CD

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PIK3CG Tclin PI3-kinase p110-gamma subunit (5411 Activities)

Discover Target: PIK3CG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

PIK3CA PI3-kinase p110-alpha subunit (51 Activities)

Discover Target: PIK3CA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO (>10 mg/ml), water (<2 mg/ml), acetonitrile (6 mg/ml), methanol (9 mg/ml), and 100% ethanol.
• Peso molecular: 285.230 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 284.991 Da
• Monoisotopic Mass: 284.991 Da
• Topological Polar Surface Area: 89.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 468.000
• 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