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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items BMS 961 - ≥97%(HPLC) , CAS No.185629-22-5
Synonyms
BMS961 | BMS-961 | US9963439, BMS961 | SCHEMBL165751 | AKOS024457614 | 3-Fluoro-4-[[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-2-naphthalenyl)acetyl]amino]-benzoic acid | 3-fluoro-4-[[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphtha
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Why this grade ≥97%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C Ships Wet ice 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
BMS961 | BMS-961 | US9963439, BMS961 | SCHEMBL165751 | AKOS024457614 | 3-Fluoro-4-[[2-hydroxy-2-(5, 5, 8, 8-tetramethyl-5, 6, 7, 8, -tetrahydro-2-naphthalenyl)acetyl]amino]-benzoic acid | 3-fluoro-4-[[2-hydroxy-2-(5, 5, 8, 8-tetramethyl-5, 6, 7, 8-tetrahydro-2-naphtha
Especificaciones y pureza
≥97%(HPLC)
Mecanismos bioquímicos y fisiológicos
Selective RARγagonist (EC50values are 30 and 1000 nM at RARγand RARβrespectively). Displays no activity at RARαreceptors.
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
Enviado en
Wet ice
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Nombres e identificadores Sonrisas canónicas CC1(CCC(C2=C1C=CC(=C2)C(C(=O)NC3=C(C=C(C=C3)C(=O)O)F)O)(C)C)C IUPAC Name 3-fluoro-4-[[2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]amino]benzoic acid InChIKey AANFHDFOMFRLLR-UHFFFAOYSA-N INCHI 1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29) Isómeros SMILES CC1(CCC(C2=C1C=CC(=C2)C(C(=O)NC3=C(C=C(C=C3)C(=O)O)F)O)(C)C)C Peso molecular 399.46 Reaxy-Rn 11341875 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11341875&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 Benzenoids Clase Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Acylaminobenzoic acid and derivatives Alternative Parents Tetralins 3-halobenzoic acids Halobenzoic acids Anilides Benzoic acids N-arylamides Benzoyl derivatives Fluorobenzenes Aryl fluorides Secondary alcohols Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Organofluorides Organopnictogen compounds Molecular Framework Aromatic homopolycyclic compounds Substituents Acylaminobenzoic acid or derivatives - Tetralin - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - Anilide - Benzoyl - N-arylamide - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Secondary carboxylic acid amide - Carboxamide group - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Aromatic alcohol - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic homopolycyclic compound Descripción This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated. 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 Solvent:DMSO, Max Conc. mg/mL: 39.95, Max Conc. mM: 100 Peso molecular 399.500 g/mol XLogP3 4.900 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 4 Exact Mass 399.185 Da Monoisotopic Mass 399.185 Da Topological Polar Surface Area 86.600 Ų Heavy Atom Count 29 Formal Charge 0 Complexity 634.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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