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· · COA & SDS available for every product · Same-day shipping on in-stock items Emivirine（MKC-442） - Moligand™, ≥98% , CAS No.149950-60-7
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. ≥98% Synonyms
MKC442 | MKC 442 | DRG-0302 | DRG 0302 | DRG0302 | 1-(Ethoxymethyl)-6-(Phenylmethyl)-5-Propan-2-Ylpyrimidine-2,4-Dione | 6-(Benzyl)-1-(Ethoxymethyl)-5-Isopropyl-Pyrimidine-2,4-Quinone
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads 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.
Overview
Emivirine (MKC-442) is a potent and selective nonnucleoside reverse transcriptase inhibitor of human immunodeficiency virus type 1.
Specifications Synonyms
MKC442 | MKC 442 | DRG-0302 | DRG 0302 | DRG0302 | 1-(Ethoxymethyl)-6-(Phenylmethyl)-5-Propan-2-Ylpyrimidine-2, 4-Dione | 6-(Benzyl)-1-(Ethoxymethyl)-5-Isopropyl-Pyrimidine-2, 4-Quinone
Specifications & Purity
Moligand™, ≥98%
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Properties Names and Identifiers Canonical Smiles CCOCN1C(=C(C(=O)NC1=O)C(C)C)CC2=CC=CC=C2 IUPAC Name 6-benzyl-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione InChIKey MLILORUFDVLTSP-UHFFFAOYSA-N INCHI 1S/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21) Isomeric SMILES CCOCN1C(=C(C(=O)NC1=O)C(C)C)CC2=CC=CC=C2 Alternate CAS 149950-60-7 PubChem CID 65013 MeSH Entry Terms 1-(ethoxymethyl)-5-(1-methylethyl)-6-(phenylmethyl)-2,4(1H,3H)-pyrimidinedione;6-benzyl-1-(ethoxymethyl)-5-isopropyluracil;6-benzyl-1-ethoxymethyl-5-isopropyluracil;emivirine;MKC 442;MKC-442 Molecular Weight 302.37
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 Diazines Subclass Pyrimidines and pyrimidine derivatives Intermediate Tree Nodes Not available Direct Parent Pyrimidones Alternative Parents Hydropyrimidines Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. External Descriptors pyrimidone 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 Solubility Solubility：DMSO Molecular Weight 302.370 g/mol XLogP3 2.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 6 Exact Mass 302.163 Da Monoisotopic Mass 302.163 Da Topological Polar Surface Area 58.600 Ų Heavy Atom Count 22 Formal Charge 0 Complexity 451.000 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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