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· · COA & SDS すべての製品に適用 · 在庫品は当日出荷 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 同義語
(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
作用メカニズム
Inhibitor of ADAM17
名前と識別子 カノニカル・スマイル 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 異性体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 分類 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 説明 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.
3 D構造 関連ターゲット（人間） 関連ターゲット（非人間） 作用メカニズム 証明書（CoA、COO、BSE/TSEと分析図） 化学的性質と物理的性質 分子量 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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