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· · COA & SDS Disponibile per ogni prodotto · Spedizione lo stesso giorno su articoli in magazzino NBI-74330 - Moligand™ , Antagonist of CXCR3, CAS No.N612179, Antagonist of CXCR3
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
(±)-NBI 74330;NBI74330
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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 Sinonimi
(±)-NBI 74330;NBI74330
Specifiche e purezza
Moligand™
Condizioni di conservazione di stoccaggio
Room temperature
Meccanismo d'azione
Antagonist of CXCR3
Nomi e identificatori Sorrisi canonici
CCOc1ccc(cc1)n1c(nc2c(c1=O)cccn2)C(N(C(=O)Cc1ccc(c(c1)C(F)(F)F)F)Cc1cccnc1)C
IUPAC Name
N-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
InChIKey
XMRGQUDUVGRCBS-UHFFFAOYSA-N
INCHI
1S/C32H27F4N5O3/c1-3-44-24-11-9-23(10-12-24)41-30(39-29-25(31(41)43)7-5-15-38-29)20(2)40(19-22-6-4-14-37-18-22)28(42)17-21-8-13-27(33)26(16-21)32(34,35)36/h4-16,18,20H,3,17,19H2,1-2H3
Isomeri SMILES
CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=CC=C3)N=C2C(C)N(CC4=CN=CC=C4)C(=O)CC5=CC(=C(C=C5)F)C(F)(F)F
Documentazione 📋 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 Benzenoids Classe Benzene and substituted derivatives Subclass Trifluoromethylbenzenes Intermediate Tree Nodes Not available Direct Parent Trifluoromethylbenzenes Alternative Parents Pyrido[2,3-d]pyrimidines Phenylacetamides Phenoxy compounds Phenol ethers Pyrimidones Alkyl aryl ethers Fluorobenzenes Pyridines and derivatives Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Alkyl fluorides Organonitrogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Pyridopyrimidine - Trifluoromethylbenzene - Pyrido[2,3-d]pyrimidine - Phenylacetamide - Phenol ether - Phenoxy compound - Alkyl aryl ether - Pyrimidone - Halobenzene - Fluorobenzene - Aryl halide - Pyrimidine - Pyridine - Aryl fluoride - Tertiary carboxylic acid amide - Heteroaromatic compound - Lactam - Carboxamide group - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound Descrizione This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. 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.
Struttura 3D Obiettivi associati (umani) Obiettivi associati (non umani) Meccanismi d'azione Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Peso molecolare 605.600 g/mol XLogP3 5.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 10 Rotatable Bond Count 9 Exact Mass 605.205 Da Monoisotopic Mass 605.205 Da Topological Polar Surface Area 88.000 Ų Heavy Atom Count 44 Formal Charge 0 Complexity 1020.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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Reconstitution Calculator Recensioni Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
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