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· · COA & SDS available for every product · Same-day shipping on in-stock items AZD9977 - Moligand™ , Mineralocorticoid receptor modulator, CAS No.1850385-64-6, Mineralocorticoid receptor modulator
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Synonyms
AZD9977 | AZD-9977 | BDBM238159 | 6C9UKZ0CYE | MBKYLPOPYYLTNW-ZDUSSCGKSA-N | GTPL11281 | 2-[(3~{S})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide | 2-[(3S)-7-Fluoro-4-(3-oxo-4H-
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Why this grade Moligand™ Moligand™ 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
AZD9977 | AZD-9977 | BDBM238159 | 6C9UKZ0CYE | MBKYLPOPYYLTNW-ZDUSSCGKSA-N | GTPL11281 | 2-[(3~{S})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1, 4-benzoxazin-6-yl)carbonyl]-2, 3-dihydro-1, 4-benzoxazin-3-yl]-~{N}-methyl-ethanamide | 2-[(3S)-7-Fluoro-4-(3-oxo-4H-
Specifications & Purity
Moligand™
Action Type
ANTAGONIST, MODULATOR
Mechanism of action
Mineralocorticoid receptor modulator
Product Properties Names and Identifiers Canonical Smiles CNC(=O)CC1COC2=C(N1C(=O)C3=CC4=C(C=C3)OCC(=O)N4)C=CC(=C2)F IUPAC Name 2-[(3S)-7-fluoro-4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-methylacetamide InChIKey MBKYLPOPYYLTNW-ZDUSSCGKSA-N INCHI 1S/C20H18FN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)/t13-/m0/s1 Isomeric SMILES CNC(=O)C[C@H]1COC2=C(N1C(=O)C3=CC4=C(C=C3)OCC(=O)N4)C=CC(=C2)F Alternate CAS 1850385-64-6 PubChem CID 118599727 MeSH Entry Terms (S)-2-(7-fluoro-4-(3-oxo-3,4-dihydro-2H-benzo(b)(1,4)oxazine-6-carbonyl)-3,4-dihydro-2H-benzo(b)(1,4)oxazin-3-yl)-N-methylacetamide;AZD9977 Molecular Weight 399.4
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 Organoheterocyclic compounds Class Benzoxazines Subclass Benzoxazinones Intermediate Tree Nodes Not available Direct Parent Benzoxazinones Alternative Parents Beta amino acids and derivatives Benzomorpholines Alkyl aryl ethers Benzenoids Aryl fluorides Tertiary carboxylic acid amides Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Beta amino acid or derivatives - Benzoxazinone - Benzomorpholine - Alkyl aryl ether - Benzenoid - Oxazinane - Aryl halide - Aryl fluoride - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Lactam - Carboxamide group - Oxacycle - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzoxazinones. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone 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) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 399.400 g/mol XLogP3 1.100 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 3 Exact Mass 399.123 Da Monoisotopic Mass 399.123 Da Topological Polar Surface Area 97.000 Ų Heavy Atom Count 29 Formal Charge 0 Complexity 662.000 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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