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· · COA & SDS available for every product · Same-day shipping on in-stock items PF-04634817 - Moligand™ , C-C chemokine receptor type 5 antagonist, CAS No.1228111-63-4, C-C chemokine receptor type 5 antagonist
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
AC-31375 | D-Erythro-pentitol, 1,5-anhydro-2,3-dideoxy-4-O-methyl-3-(((1R,3S)-3-(1-methylethyl)-3-(((1S,4S)-5-(6-(trifluoromethyl)-4-pyrimidinyl)-2,5-diazabicyclo(2.2.1)hept-2-yl)carbonyl)cyclopentyl)amino)- | MCRWZBYTLVCCJJ-DKALBXGISA-N | example 13 [US8
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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
AC-31375 | D-Erythro-pentitol, 1, 5-anhydro-2, 3-dideoxy-4-O-methyl-3-(((1R, 3S)-3-(1-methylethyl)-3-(((1S, 4S)-5-(6-(trifluoromethyl)-4-pyrimidinyl)-2, 5-diazabicyclo(2.2.1)hept-2-yl)carbonyl)cyclopentyl)amino)- | MCRWZBYTLVCCJJ-DKALBXGISA-N | example 13 [US8
Specifications & Purity
Moligand™
Mechanism of action
C-C chemokine receptor type 5 antagonist
Product Properties Names and Identifiers Canonical Smiles CC(C)C1(CCC(C1)NC2CCOCC2OC)C(=O)N3CC4CC3CN4C5=NC=NC(=C5)C(F)(F)F IUPAC Name [(1S,3R)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[(1S,4S)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone InChIKey MCRWZBYTLVCCJJ-DKALBXGISA-N INCHI 1S/C25H36F3N5O3/c1-15(2)24(6-4-16(10-24)31-19-5-7-36-13-20(19)35-3)23(34)33-12-17-8-18(33)11-32(17)22-9-21(25(26,27)28)29-14-30-22/h9,14-20,31H,4-8,10-13H2,1-3H3/t16-,17+,18+,19+,20-,24+/m1/s1 Isomeric SMILES CC(C)[C@@]1(CC[C@H](C1)N[C@H]2CCOC[C@H]2OC)C(=O)N3C[C@@H]4C[C@H]3CN4C5=NC=NC(=C5)C(F)(F)F Alternate CAS 1228111-63-4 PubChem CID 46198579 MeSH Entry Terms 1,5-Anhydro-2,3-dideoxy-3-(((1R,3S)-3-isopropyl-3-(((1S,4S)-5-(6-(trifluoromethyl)-4-pyrimidinyl)-2,5-diazabicyclo(2.2.1)hept-2-yl)carbonyl)cyclopentyl)amino)-4-O-methyl-D-erythro-pentitol;PF-04634817 Molecular Weight 511.6
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 Organic acids and derivatives Class Carboxylic acids and derivatives Subclass Amino acids, peptides, and analogues Intermediate Tree Nodes Amino acids and derivatives Direct Parent Gamma amino acids and derivatives Alternative Parents N-arylpiperazines N-acylpyrrolidines Dialkylarylamines Aminopyrimidines and derivatives Oxanes Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Dialkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Alkyl fluorides Molecular Framework Aromatic heteropolycyclic compounds Substituents Gamma amino acid or derivatives - N-arylpiperazine - N-acylpyrrolidine - Dialkylarylamine - Aminopyrimidine - 1,4-diazinane - Oxane - Piperazine - Pyrimidine - Imidolactam - Tertiary carboxylic acid amide - Pyrrolidine - Heteroaromatic compound - Tertiary amine - Carboxamide group - Oxacycle - Secondary amine - Azacycle - Organoheterocyclic compound - Dialkyl ether - Secondary aliphatic amine - Ether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Alkyl fluoride - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Alkyl halide - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom. 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) Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 511.600 g/mol XLogP3 2.700 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 10 Rotatable Bond Count 6 Exact Mass 511.277 Da Monoisotopic Mass 511.277 Da Topological Polar Surface Area 79.800 Ų Heavy Atom Count 36 Formal Charge 0 Complexity 801.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 6 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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