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· · COA & SDS available for every product · Same-day shipping on in-stock items Unii-0ojb0les1A , C-C chemokine receptor type 2 antagonist, CAS No.1228650-83-6, C-C chemokine receptor type 2 antagonist
Synonyms
JNJ-41443532 | CFKBNYUHQSQBSX-CYWCHRQTSA-N | Benzamide, N-(2-((1-(trans-4-hydroxy-4-(5-thiazolyl)cyclohexyl)-3-azetidinyl)amino)-2-oxoethyl)-3-(trifluoromethyl) | HY-13499 | BDBM50400695 | SCHEMBL2485331 | N-[2-([1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexy
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Why this grade 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
JNJ-41443532 | CFKBNYUHQSQBSX-CYWCHRQTSA-N | Benzamide, N-(2-((1-(trans-4-hydroxy-4-(5-thiazolyl)cyclohexyl)-3-azetidinyl)amino)-2-oxoethyl)-3-(trifluoromethyl) | HY-13499 | BDBM50400695 | SCHEMBL2485331 | N-[2-([1-[4-hydroxy-4-(1, 3-thiazol-5-yl)cyclohexy
Mechanism of action
C-C chemokine receptor type 2 antagonist
Product Properties Names and Identifiers Canonical Smiles C1CC(CCC1N2CC(C2)NC(=O)CNC(=O)C3=CC(=CC=C3)C(F)(F)F)(C4=CN=CS4)O IUPAC Name N-[2-[[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide InChIKey CFKBNYUHQSQBSX-UHFFFAOYSA-N INCHI 1S/C22H25F3N4O3S/c23-22(24,25)15-3-1-2-14(8-15)20(31)27-10-19(30)28-16-11-29(12-16)17-4-6-21(32,7-5-17)18-9-26-13-33-18/h1-3,8-9,13,16-17,32H,4-7,10-12H2,(H,27,31)(H,28,30) Isomeric SMILES C1CC(CCC1N2CC(C2)NC(=O)CNC(=O)C3=CC(=CC=C3)C(F)(F)F)(C4=CN=CS4)O Molecular Weight 482.5 Reaxy-Rn 20309151 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20309151&ln=
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 Benzenoids Class Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Benzamides Direct Parent Hippuric acids and derivatives Alternative Parents N-acyl-alpha amino acids and derivatives Alpha amino acid amides Trifluoromethylbenzenes Benzoyl derivatives Cyclohexylamines Cyclohexanols Aralkylamines Thiazoles Tertiary alcohols Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Cyclic alcohols and derivatives Azetidines Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Molecular Framework Aromatic heteromonocyclic compounds Substituents N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Trifluoromethylbenzene - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Benzoyl - Aralkylamine - Cyclohexylamine - Cyclohexanol - Heteroaromatic compound - Thiazole - Tertiary alcohol - Cyclic alcohol - Azole - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azetidine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine. 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) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 482.500 g/mol XLogP3 2.300 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 9 Rotatable Bond Count 6 Exact Mass 482.16 Da Monoisotopic Mass 482.16 Da Topological Polar Surface Area 123.000 Ų Heavy Atom Count 33 Formal Charge 0 Complexity 711.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 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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