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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items [5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-YL](3-{[(2R)-2,3-dihydroxypropyl]oxy}phenyl)methanone , MAP kinase p38 alpha inhibitor, CAS No.249936-55-8, MAP kinase p38 alpha inhibitor
Synonyms
[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | 5-amino-1-(4-fluorophenyl)-4-[3-{2(S),3-dihydroxypropoxy}benzoyl]pyrazole | SCHEMBL4108597 | Ro-3201195 | DB08424 | CHEBI:45116 | 5-amino-1-(4-fluorophenyl)-4
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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
[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2, 3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | 5-amino-1-(4-fluorophenyl)-4-[3-{2(S), 3-dihydroxypropoxy}benzoyl]pyrazole | SCHEMBL4108597 | Ro-3201195 | DB08424 | CHEBI:45116 | 5-amino-1-(4-fluorophenyl)-4
Condiciones de almacenamiento de almacenamiento
Room temperature
Mecanismo de acción
MAP kinase p38 alpha inhibitor
Propiedades del producto Nombres e identificadores Sonrisas canónicas C1=CC(=CC(=C1)OCC(CO)O)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N IUPAC Name [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]methanone InChIKey IJDQETGUEUJVTB-HNNXBMFYSA-N INCHI 1S/C19H18FN3O4/c20-13-4-6-14(7-5-13)23-19(21)17(9-22-23)18(26)12-2-1-3-16(8-12)27-11-15(25)10-24/h1-9,15,24-25H,10-11,21H2/t15-/m0/s1 Isómeros SMILES C1=CC(=CC(=C1)OC[C@H](CO)O)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N PubChem CID 5327067 Peso molecular 371.4
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 Benzoyl derivatives Intermediate Tree Nodes Not available Direct Parent Benzoylpyrazoles Alternative Parents Aryl-phenylketones Phenylpyrazoles Phenoxy compounds Phenol ethers Alkyl aryl ethers Fluorobenzenes Aryl fluorides Vinylogous amides Heteroaromatic compounds Secondary alcohols 1,2-diols Azacyclic compounds Organic oxides Primary amines Organofluorides Organopnictogen compounds Primary alcohols Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Benzoylpyrazole - Aryl-phenylketone - Phenylpyrazole - Phenoxy compound - Phenol ether - Aryl ketone - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Azole - Pyrazole - Heteroaromatic compound - Vinylogous amide - Secondary alcohol - Ketone - 1,2-diol - Ether - Azacycle - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Primary amine - Organic oxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organonitrogen compound - Organooxygen compound - Primary alcohol - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as benzoylpyrazoles. These are aromatic compounds containing a benzoyl group substituted with a pyrazole ring. External Descriptors organofluorine compound - primary amino compound - propane-1,2-diols - benzoylpyrazole 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 Peso molecular 371.400 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 7 Exact Mass 371.128 Da Monoisotopic Mass 371.128 Da Topological Polar Surface Area 111.000 Ų Heavy Atom Count 27 Formal Charge 0 Complexity 490.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 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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