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· · COA & SDS available for every product · Same-day shipping on in-stock items CP-481,715 - Moligand™ , Antagonist of CCR1, CAS No.212790-31-3, Antagonist of CCR1
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
UNII-X3TDA066ME | X3TDA066ME | GTPL3497 | N-((1S,2S,4R)-4-(AMINOCARBONYL)-1-((3-FLUOROPHENYL)METHYL)-2,7-DIHYDROXY-7-METHYLOCTYL)-2-QUINOXALINE CARBOXAMIDE | AT25906 | N-((2S,3S,5R)-5-carbamoyl-1-(3-fluorophenyl)-3,8-dihydroxy-8-methylnonan-2-yl)quinoxali
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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
UNII-X3TDA066ME | X3TDA066ME | GTPL3497 | N-((1S, 2S, 4R)-4-(AMINOCARBONYL)-1-((3-FLUOROPHENYL)METHYL)-2, 7-DIHYDROXY-7-METHYLOCTYL)-2-QUINOXALINE CARBOXAMIDE | AT25906 | N-((2S, 3S, 5R)-5-carbamoyl-1-(3-fluorophenyl)-3, 8-dihydroxy-8-methylnonan-2-yl)quinoxali
Specifications & Purity
Moligand™
Mechanism of action
Antagonist of CCR1
Names and Identifiers Canonical Smiles CC(C)(CCC(CC(C(CC1=CC(=CC=C1)F)NC(=O)C2=NC3=CC=CC=C3N=C2)O)C(=O)N)O IUPAC Name N-[(2S,3S,5R)-5-carbamoyl-1-(3-fluorophenyl)-3,8-dihydroxy-8-methylnonan-2-yl]quinoxaline-2-carboxamide InChIKey YEQJVHQCUDMXFG-FHZYATBESA-N INCHI 1S/C26H31FN4O4/c1-26(2,35)11-10-17(24(28)33)14-23(32)21(13-16-6-5-7-18(27)12-16)31-25(34)22-15-29-19-8-3-4-9-20(19)30-22/h3-9,12,15,17,21,23,32,35H,10-11,13-14H2,1-2H3,(H2,28,33)(H,31,34)/t17-,21+,23+/m1/s1 Isomeric SMILES CC(C)(CC[C@H](C[C@@H]([C@H](CC1=CC(=CC=C1)F)NC(=O)C2=NC3=CC=CC=C3N=C2)O)C(=O)N)O PubChem CID 5311123 Molecular Weight 482.55
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 Diazanaphthalenes Subclass Benzodiazines Intermediate Tree Nodes Not available Direct Parent Quinoxalines Alternative Parents Amphetamines and derivatives Pyrazinecarboxamides 2-heteroaryl carboxamides Fluorobenzenes Aryl fluorides Fatty amides Tertiary alcohols Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Primary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Amphetamine or derivatives - Quinoxaline - Pyrazinecarboxamide - Pyrazine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Pyrazine - Heteroaromatic compound - Tertiary alcohol - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organohalogen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring. 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 482.500 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 11 Exact Mass 482.233 Da Monoisotopic Mass 482.233 Da Topological Polar Surface Area 138.000 Ų Heavy Atom Count 35 Formal Charge 0 Complexity 709.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 3 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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