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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items BI-4464 - ≥97% , CAS No.1227948-02-8
Synonyms
3-Methoxy-N-(1-methylpiperidin-4-yl)-4-((4-((3-oxo-2,3-dihydro-1H-inden-4-yl)oxy)-5-(trifluoromethyl)pyrimidin-2-yl)amino)benzamide
Shipped In
Ice chest + Ice pads
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Descripción general Information
BI-4464 is a highly selective ATP competitive inhibitor of PTK2/FAK , with an IC50 of 17 nM.
Targets
PTK2/FAK (Cell-free assay) 17 nM
Specifications Sinónimos
3-Methoxy-N-(1-methylpiperidin-4-yl)-4-((4-((3-oxo-2, 3-dihydro-1H-inden-4-yl)oxy)-5-(trifluoromethyl)pyrimidin-2-yl)amino)benzamide
Especificaciones y pureza
≥97%
Mecanismos bioquímicos y fisiológicos
BI-4464 is a highly selective ATP competitive inhibitor of PTK2/FAK, with an IC50 of 17 nM.
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.
Propiedades del producto ALogP 4.531 hba_count 6 Recuento HBD 2 Enlace rotable 8
Nombres e identificadores Pubchem Sid 488201930 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488201930 Sonrisas canónicas CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)OC4=CC=CC5=C4C(=O)CC5)C(F)(F)F)OC IUPAC Name 3-methoxy-N-(1-methylpiperidin-4-yl)-4-[[4-[(3-oxo-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide InChIKey QUSSZSMDFABHLI-UHFFFAOYSA-N INCHI 1S/C28H28F3N5O4/c1-36-12-10-18(11-13-36)33-25(38)17-6-8-20(23(14-17)39-2)34-27-32-15-19(28(29,30)31)26(35-27)40-22-5-3-4-16-7-9-21(37)24(16)22/h3-6,8,14-15,18H,7,9-13H2,1-2H3,(H,33,38)(H,32,34,35) Isómeros SMILES CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)OC4=CC=CC5=C4C(=O)CC5)C(F)(F)F)OC Peso molecular 555.55 Reaxy-Rn 20458328 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20458328&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic oxygen compounds Clase Organooxygen compounds Subclass Ethers Intermediate Tree Nodes Not available Direct Parent Diarylethers Alternative Parents Indanones Benzamides Methoxyanilines Anisoles Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Phenoxy compounds Aminopyrimidines and derivatives Alkyl aryl ethers Piperidines Heteroaromatic compounds Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Secondary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides Molecular Framework Aromatic heteropolycyclic compounds Substituents Diaryl ether - Indanone - Benzamide - Benzoic acid or derivatives - Indane - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Aryl ketone - Aryl alkyl ketone - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Pyrimidine - Piperidine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Ketone - Carboxamide group - Azacycle - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Amine - Alkyl fluoride - Alkyl halide - Organic oxide - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups. 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.
Estructura 3D Objetivos asociados (humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Solubility (25°C) In vitro DMSO: 25 mg/mL (45.0 mM); Ethanol: 18 mg/mL (32.4 mM); Water: Insoluble; Sensibilidad Moisture sensitive DMSO (mg/ml) Solubilidad máxima 25 DMSO (mM) Solubilidad máxima 45.0004500045001 Agua (mg/ml) Solubilidad máxima ＜1 Peso molecular 555.500 g/mol XLogP3 4.400 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 11 Rotatable Bond Count 7 Exact Mass 555.209 Da Monoisotopic Mass 555.209 Da Topological Polar Surface Area 106.000 Ų Heavy Atom Count 40 Formal Charge 0 Complexity 886.000 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 1
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