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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items XY 018 - ≥98%(HPLC) , CAS No.1873358-87-2
Synonyms
N-[2'-Fluoro-4'-[2,2,2-trifluoro-1-hidroxi-1-(trifluorometil)etil][1,1'bifenil]-4-il]-2-nitrobencenoacetamida
Shipped In
Hielera + almohadillas de hielo
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Why this grade ≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Conservar a -20°C Ships Hielera + almohadillas de hielo 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.
Specifications Sinónimos
N-[2'-Fluoro-4'-[2, 2, 2-trifluoro-1-hidroxi-1-(trifluorometil)etil][1, 1'bifenil]-4-il]-2-nitrobencenoacetamida
Especificaciones y pureza
≥98%(HPLC)
Mecanismos bioquímicos y fisiológicos
Antagonista de RORγ (EC50= 190 nM). Suprime la expresión del receptor androgénico en líneas celulares de cáncer de próstata. También inhibe el crecimiento de tumores en modelos de xenoinjerto con receptores de andrógenos positivos.
Condiciones de almacenamiento de almacenamiento
Conservar a -20°C
Enviado en
Hielera + almohadillas de hielo
Nombres e identificadores Sonrisas canónicas C1=CC=C(C(=C1)CC(=O)NC2=CC=C(C=C2)C3=C(C=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)F)[N+](=O)[O-] IUPAC Name N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-2-(2-nitrophenyl)acetamide InChIKey MNVXADPCMINSEC-UHFFFAOYSA-N INCHI 1S/C23H15F7N2O4/c24-18-12-15(21(34,22(25,26)27)23(28,29)30)7-10-17(18)13-5-8-16(9-6-13)31-20(33)11-14-3-1-2-4-19(14)32(35)36/h1-10,12,34H,11H2,(H,31,33) Isómeros SMILES C1=CC=C(C(=C1)CC(=O)NC2=CC=C(C=C2)C3=C(C=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)F)[N+](=O)[O-] PubChem CID 130248006 Peso molecular 516.36
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 Benzenoids Clase Benzene and substituted derivatives Subclass Phenylacetamides Intermediate Tree Nodes Not available Direct Parent Phenylacetamides Alternative Parents Nitrobenzenes Anilides Nitroaromatic compounds N-arylamides Fluorobenzenes Propargyl-type 1,3-dipolar organic compounds Carboxylic acid amides Organopnictogen compounds Organofluorides Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides Molecular Framework Aromatic homomonocyclic compounds Substituents Phenylacetamide - Anilide - Nitrobenzene - Nitroaromatic compound - N-arylamide - Halobenzene - Fluorobenzene - Organic nitro compound - C-nitro compound - Carboxamide group - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic hyponitrite - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids. 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) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Solvent:DMSO, Max Conc. mg/mL: 51.64, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 51.64, Max Conc. mM: 100 Peso molecular 516.400 g/mol XLogP3 5.400 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 11 Rotatable Bond Count 5 Exact Mass 516.092 Da Monoisotopic Mass 516.092 Da Topological Polar Surface Area 95.200 Ų Heavy Atom Count 36 Formal Charge 0 Complexity 764.000 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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