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· · COA & SDS すべての製品に適用 · 在庫品は当日出荷 ホーム 目標/経路/疾患別 リガンドファミリー 合成有機配位子 VU0424465 - Moligand™ , Agonist of mGlu 5 receptor;Allosteric modulator of mGlu 5 receptor, CAS No.V614803, Agonist of mGlu 5 receptor;Allosteric modulator of mGlu 5 receptor VU0424465 - Moligand™ , Agonist of mGlu 5 receptor;Allosteric modulator of mGlu 5 receptor, CAS No.V614803, Agonist of mGlu 5 receptor;Allosteric modulator of mGlu 5 receptor
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.
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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 アクションタイプ
AGONIST, ALLOSTERIC MODULATOR
作用メカニズム
Agonist of mGlu 5 receptor;Allosteric modulator of mGlu 5 receptor
名前と識別子 カノニカル・スマイル Fc1cccc(c1)C#Cc1ccc(nc1)C(=O)N[C@@H](C(O)(C)C)C IUPAC Name 5-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyridine-2-carboxamide InChIKey ZPKZAFDYFVJULO-CYBMUJFWSA-N INCHI 1S/C19H19FN2O2/c1-13(19(2,3)24)22-18(23)17-10-9-15(12-21-17)8-7-14-5-4-6-16(20)11-14/h4-6,9-13,24H,1-3H3,(H,22,23)/t13-/m1/s1 異性体SMILES C[C@H](C(C)(C)O)NC(=O)C1=NC=C(C=C1)C#CC2=CC(=CC=C2)F PubChem CID 53384864
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 分類 Pyridines and derivatives Subclass Pyridinecarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Pyridinecarboxamides Alternative Parents 2-heteroaryl carboxamides Fluorobenzenes Aryl fluorides Tertiary alcohols Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Pyridinecarboxamide - 2-heteroaryl carboxamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound 説明 This compound belongs to the class of organic compounds known as pyridinecarboxamides. These are compounds containing a pyridine ring bearing a carboxamide. 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 326.400 g/mol XLogP3 2.900 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 5 Exact Mass 326.143 Da Monoisotopic Mass 326.143 Da Topological Polar Surface Area 62.200 Ų Heavy Atom Count 24 Formal Charge 0 Complexity 508.000 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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