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· · COA & SDS available for every product · Same-day shipping on in-stock items Home Applications Enzymes Lanosterol biosynthesis pathway 1-[4-amino-2,6-bis(propan-2-yl)phenyl]-3-{1-butyl-4-[3-(3-cyclohexylpropoxy)phenyl]-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl}urea dihydrochloride - Moligand™ , Inhibitor of acetyl-CoA acetyltransferase 1, CAS No.A609006, Inhibitor of acetyl-CoA acetyltransferase 1 1-[4-amino-2,6-bis(propan-2-yl)phenyl]-3-{1-butyl-4-[3-(3-cyclohexylpropoxy)phenyl]-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl}urea dihydrochloride - Moligand™ , Inhibitor of acetyl-CoA acetyltransferase 1, CAS No.A609006, Inhibitor of acetyl-CoA acetyltransferase 1
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.
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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 Specifications & Purity
Moligand™
Mechanism of action
Inhibitor of acetyl-CoA acetyltransferase 1
Names and Identifiers Canonical Smiles CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCC1CCCCC1.Cl.Cl IUPAC Name 1-[4-amino-2,6-bis(propan-2-yl)phenyl]-3-{1-butyl-4-[3-(3-cyclohexylpropoxy)phenyl]-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl}urea dihydrochloride InChIKey ZFNNBIMQDHBELV-UHFFFAOYSA-N INCHI 1S/C40H53N5O3.2ClH/c1-6-7-21-45-38-32(19-12-20-42-38)35(29-17-11-18-31(23-29)48-22-13-16-28-14-9-8-10-15-28)37(39(45)46)44-40(47)43-36-33(26(2)3)24-30(41)25-34(36)27(4)5;;/h11-12,17-20,23-28H,6-10,13-16,21-22,41H2,1-5H3,(H2,43,44,47);2*1H Isomeric SMILES CCCCN1C2=C(C=CC=N2)C(=C(C1=O)NC(=O)NC3=C(C=C(C=C3C(C)C)N)C(C)C)C4=CC(=CC=C4)OCCCC5CCCCC5.Cl.Cl PubChem CID 73755243
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 Pyridines and derivatives Subclass Phenylpyridines Intermediate Tree Nodes Not available Direct Parent Phenylpyridines Alternative Parents N-phenylureas Naphthyridines Cumenes Phenylpropanes Phenoxy compounds Phenol ethers Aniline and substituted anilines Pyridinones Alkyl aryl ethers Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Primary amines Molecular Framework Aromatic heteropolycyclic compounds Substituents 4-phenylpyridine - N-phenylurea - Naphthyridine - Cumene - Phenylpropane - Phenoxy compound - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Pyridinone - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Lactam - Urea - Azacycle - Ether - Hydrochloride - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Primary amine - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine 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) Certificates（CoA,COO,BSE/TSE and Analysis Chart) Solution Calculators Molarity Calculator Determine the necessary mass, volume, or concentration for preparing a solution.
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