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· · COA & SDS available for every product · Same-day shipping on in-stock items BMS-561392 - Moligand™ , Inhibitor of ADAM17, CAS No.B608131, Inhibitor of ADAM17
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
(2R)-2-((3R)-3-AMINO-3-(4-((2-METHYL-4-QUINOLINYL)METHOXY)PHENYL)-2-OXO-1-PYRROLIDINYL)-N-HYDROXY-4-METHYLPENTANAMIDE | (2R)-2-[(3R)-3-amino-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide | BMS561392 | BMS
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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
(2R)-2-((3R)-3-AMINO-3-(4-((2-METHYL-4-QUINOLINYL)METHOXY)PHENYL)-2-OXO-1-PYRROLIDINYL)-N-HYDROXY-4-METHYLPENTANAMIDE | (2R)-2-[(3R)-3-amino-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide | BMS561392 | BMS
Specifications & Purity
Moligand™
Mechanism of action
Inhibitor of ADAM17
Names and Identifiers Canonical Smiles ONC(=O)[C@H](N1CC[C@@](C1=O)(N)c1ccc(cc1)OCc1cc(C)nc2c1cccc2)CC(C)C IUPAC Name (2R)-2-[(3R)-3-amino-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide InChIKey QVNZBDLTUKCPGJ-SHQCIBLASA-N INCHI 1S/C27H32N4O4/c1-17(2)14-24(25(32)30-34)31-13-12-27(28,26(31)33)20-8-10-21(11-9-20)35-16-19-15-18(3)29-23-7-5-4-6-22(19)23/h4-11,15,17,24,34H,12-14,16,28H2,1-3H3,(H,30,32)/t24-,27-/m1/s1 Isomeric SMILES CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)[C@@]4(CCN(C4=O)[C@H](CC(C)C)C(=O)NO)N PubChem CID 9847838
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 Organic acids and derivatives Class Carboxylic acids and derivatives Subclass Amino acids, peptides, and analogues Intermediate Tree Nodes Peptides Direct Parent Dipeptides Alternative Parents Leucine and derivatives Phenylpyrrolidines Quinolines and derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Aralkylamines Methylpyridines Pyrrolidine-2-ones N-alkylpyrrolidines Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Hydroxamic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Molecular Framework Aromatic heteropolycyclic compounds Substituents Alpha-dipeptide - Leucine or derivatives - 3-phenylpyrrolidine - Alpha-amino acid or derivatives - Quinoline - Phenoxy compound - Phenol ether - Alkyl aryl ether - Methylpyridine - Aralkylamine - Pyrrolidone - 2-pyrrolidone - Monocyclic benzene moiety - N-alkylpyrrolidine - Pyridine - Benzenoid - Pyrrolidine - Pyrrole - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Hydroxamic acid - Lactam - Ether - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Primary amine - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. 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 476.600 g/mol XLogP3 3.200 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 8 Exact Mass 476.242 Da Monoisotopic Mass 476.242 Da Topological Polar Surface Area 118.000 Ų Heavy Atom Count 35 Formal Charge 0 Complexity 741.000 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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