EAI045 - Moligand™, 10mM in DMSO , Allosteric modulator of epidermal growth factor receptor, CAS No.1942114-09-1, Allosteric modulator of epidermal growth factor receptor

CAS: 1942114-09-1 Cat. No.: E422370 Fórmula: C19H14FN3O3S Peso molecular: 383.4
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CALIDAD & PUREZA Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
Synonyms
2H-​Isoindole-​2-​acetamide,α-​(5-​fluoro-​2-​hydroxyphenyl)​-​1,​3-​dihydro-​1-​oxo-​N-​2-​thiazolyl-
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Talla
Alemania (EU)
USA*
Precio
Cantidad
1ml
E422370-1ml
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1 Disponible

143,09€

209,91€
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Por qué esta calidad

Moligand™, 10mM in DMSO Moligand™ para flujos de trabajo cromatográficos y analíticos sensibles que requieren una interferencia mínima de la línea base.

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Almacenamiento y envío

Store at -80°C Envío Dry ice packs + Cold packs. Consulte el COA específico del lote para conocer las especificaciones exactas.

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Prueba documental

Citado en 0 publicaciones revisadas por pares sobre cromatografía, síntesis orgánica y reacciones de acoplamiento cruzado.

Descripción general

Information

EAI045 EAI045 is an allosteric inhibitor that targets selected drug-resistant EGFR mutants but spares the wild-type receptor.

Targets

EGFR mutants

In vitro

EAI045 potently inhibits EGFR Y1173 phosphorylation in H1975 cells (half maximal effective concentration (EC50)=2nM), but not in HaCaT cells, a keratinocyte cell line with wild-type EGFR. Despite potent inhibition of mutant EGFR, EAI045 shows no anti-proliferative effect in the H1975 and H3255 cell lines with concentrations as high as 10μM. EAI045 inhibits L858R/T790M mutant with an IC50 of 3 nM. However, EAI045 is not able to completely abolish EGFR autophosphorylation in H1975 NSCLC cell line harboring the L858R/T790M mutant. Dimerization-defective/independent mutants are markedly more sensitive to EAI045. Since EGFR dimerization is required for kinase enzyme activation, EAI045 may be active against one subunit of an EGFR heterodimer/asymmetric dimer.

In vivo

Mouse pharmacokinetic studies with EAI045 reveals a maximal plasma concentration of 0.57μM, a half-life of 2.15 h, and oral bioavailability of 26% after dosing at 20mg/kg. When combined with cetuximab that blocks EGFR dimerization, EAI045 markedly reduces tumor growth in a mouse model of L858R/T790M-mutant-driven lung cancer. The mice treated alone with EAI045 do not respond. EAI045 in combination with cetuximab also induces marked tumor shrinkage in the mouse model carrying L858R/T790M/C797S, a mutant known to be resistant to all third-generation EGFR TKIs. EAI045 and cetuximab exhibits mechanistic synergy.

Cell Research(from reference)

Cell lines:H1975, H3255 and HaCaT cell lines 

Concentrations:Serial dilution (0-100 μM) 

Incubation Time:3 days 

Especificaciones

Sinónimos
2H-​Isoindole-​2-​acetamide,α-​(5-​fluoro-​2-​hydroxyphenyl)​-​1,​3-​dihydro-​1-​oxo-​N-​2-​thiazolyl-
Especificaciones y pureza
Moligand™, 10mM in DMSO
Mecanismos bioquímicos y fisiológicos
EAI045 is an allosteric inhibitor that targets selected drug-resistant EGFR mutants but spares the wild-type receptor.
Condiciones de almacenamiento de almacenamiento
Store at -80°C
Enviado en
Dry ice packs + Cold packs
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Grado
Moligand™
Tipo de acción
ALLOSTERIC MODULATOR
Mecanismo de acción
Allosteric modulator of epidermal growth factor receptor
Nombres e identificadores
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/528764332
Sonrisas canónicas
C1C2=CC=CC=C2C(=O)N1C(C3=C(C=CC(=C3)F)O)C(=O)NC4=NC=CS4
IUPAC Name
2-(5-fluoro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
InChIKey
YTUFHOKUFOQRDF-UHFFFAOYSA-N
INCHI
1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25)
Isómeros SMILES
C1C2=CC=CC=C2C(=O)N1C(C3=C(C=CC(=C3)F)O)C(=O)NC4=NC=CS4
Términos de entrada MeSH
2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide;EAI045
Peso molecular
383.4
Reaxy-Rn
33071410
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33071410&ln=

Documentación

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<<<<<<< HEAD Descargar SDS → ======= Descargar SDS → >>>>>>> release248-p3

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Datos avanzados

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseIsoindoles and derivatives
SubclassIsoindolines
Intermediate Tree Nodes Not available
Direct ParentIsoindolones
Alternative Parents Phenylacetamides  Alpha amino acids and derivatives  Isoindoles  P-fluorophenols  N-arylamides  Fluorobenzenes  1-hydroxy-2-unsubstituted benzenoids  Aryl fluorides  Thiazoles  Tertiary carboxylic acid amides  Heteroaromatic compounds  Secondary carboxylic acid amides  Lactams  Azacyclic compounds  Organopnictogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylacetamide - Isoindolone - Alpha-amino acid or derivatives - Isoindole - N-arylamide - 4-fluorophenol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Halobenzene - Fluorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Azole - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
EGFR Tclin Epidermal growth factor receptor (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
BaF3 (4657 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular383.400 g/mol
XLogP32.700
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass383.074 Da
Monoisotopic Mass383.074 Da
Topological Polar Surface Area111.000 Ų
Heavy Atom Count27
Formal Charge0
Complexity580.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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