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· · COA & SDS available for every product · Same-day shipping on in-stock items CCR2-RA-[R] - Moligand™ , Allosteric modulator of CCR2, CAS No.C608420, Allosteric modulator of CCR2
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
analog 49 (Dasse et al ., 2007)
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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
analog 49 (Dasse et al ., 2007)
Specifications & Purity
Moligand™
Action Type
ALLOSTERIC MODULATOR
Mechanism of action
Allosteric modulator of CCR2
Names and Identifiers Canonical Smiles
Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C
IUPAC Name
(2R)-3-acetyl-1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one
InChIKey
VQNLJXWZGVRLBA-MRXNPFEDSA-N
INCHI
1S/C18H19ClFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3/t16-/m1/s1
Isomeric SMILES
CC(=O)C1=C(C(=O)N([C@@H]1C2CCCCC2)C3=C(C=C(C=C3)Cl)F)O
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 Pyrrolines Subclass Phenylpyrrolines Intermediate Tree Nodes Not available Direct Parent Phenylpyrrolines Alternative Parents Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Vinylogous acids Tertiary carboxylic acid amides Pyrroles Lactams Ketones Enols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents 1-phenylpyrroline - Halobenzene - Fluorobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Vinylogous acid - Tertiary carboxylic acid amide - Pyrrole - Lactam - Ketone - Carboxamide group - Azacycle - Enol - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Carbonyl group - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN 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) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 351.800 g/mol XLogP3 4.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 351.104 Da Monoisotopic Mass 351.104 Da Topological Polar Surface Area 57.600 Ų Heavy Atom Count 24 Formal Charge 0 Complexity 558.000 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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