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· · COA & SDS available for every product · Same-day shipping on in-stock items Cyclopropanecarboxylic acid, 2-(3'-(3-((cyclopropylamino)carbonyl)-4-oxo-1,8-naphthyridin-1(4H)-yl)-3-fluoro(1,1'-biphenyl)-4-yl)-, (1R,2R)- , CAS No.934995-87-6
Synonyms
MK-0952 | UNII-N48GH1UIR0 | N48GH1UIR0 | Cyclopropanecarboxylic acid, 2-(3'-(3-((cyclopropylamino)carbonyl)-4-oxo-1,8-naphthyridin-1(4H)-yl)-3-fluoro(1,1'-biphenyl)-4-yl)-, (1R,2R)- | (1R,2R)-2-(3'-(3-(cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1(4H)-yl
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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 Synonyms
MK-0952 | UNII-N48GH1UIR0 | N48GH1UIR0 | Cyclopropanecarboxylic acid, 2-(3'-(3-((cyclopropylamino)carbonyl)-4-oxo-1, 8-naphthyridin-1(4H)-yl)-3-fluoro(1, 1'-biphenyl)-4-yl)-, (1R, 2R)- | (1R, 2R)-2-(3'-(3-(cyclopropylcarbamoyl)-4-oxo-1, 8-naphthyridin-1(4H)-yl
Product Properties Names and Identifiers Canonical Smiles C1CC1NC(=O)C2=CN(C3=C(C2=O)C=CC=N3)C4=CC=CC(=C4)C5=CC(=C(C=C5)C6CC6C(=O)O)F IUPAC Name (1R,2R)-2-[4-[3-[3-(cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]-2-fluorophenyl]cyclopropane-1-carboxylic acid InChIKey PSYPBAHXIIVDCJ-FCHUYYIVSA-N INCHI 1S/C28H22FN3O4/c29-24-12-16(6-9-19(24)21-13-22(21)28(35)36)15-3-1-4-18(11-15)32-14-23(27(34)31-17-7-8-17)25(33)20-5-2-10-30-26(20)32/h1-6,9-12,14,17,21-22H,7-8,13H2,(H,31,34)(H,35,36)/t21-,22+/m0/s1 Isomeric SMILES C1CC1NC(=O)C2=CN(C3=C(C2=O)C=CC=N3)C4=CC=CC(=C4)C5=CC(=C(C=C5)[C@@H]6C[C@H]6C(=O)O)F PubChem CID 11755033 Molecular Weight 483.5
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 Organoheterocyclic compounds Class Diazanaphthalenes Subclass Naphthyridines Intermediate Tree Nodes Not available Direct Parent Naphthyridine carboxylic acids and derivatives Alternative Parents Biphenyls and derivatives Pyridinecarboxylic acids and derivatives Fluorobenzenes Aryl fluorides Cyclopropanecarboxylic acids Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organonitrogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Naphthyridine carboxylic acid - Biphenyl - Pyridine carboxylic acid or derivatives - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as naphthyridine carboxylic acids and derivatives. These are compounds containing a naphthyridine moiety, where one of the ring atoms bears a carboxylic acid group. 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 483.500 g/mol XLogP3 4.000 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 6 Exact Mass 483.159 Da Monoisotopic Mass 483.159 Da Topological Polar Surface Area 99.600 Ų Heavy Atom Count 36 Formal Charge 0 Complexity 936.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 2 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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