1-[4-amino-2,6-bis(propan-2-yl)phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea hydrochloride - Moligand™ , Inhibitor of acetyl-CoA acetyltransferase 1, CAS No.A608740, Inhibitor of acetyl-CoA acetyltransferase 1

CAS: A608740 Cat. No.: A608740 PubChem CID: 45265746

GRADE & PURITY Moligand™

Synonyms

compound 15b

Storage

Room temperature

Specifications

Synonyms

compound 15b

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

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)OC.Cl
• IUPAC Name: 1-[4-amino-2,6-bis(propan-2-yl)phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea hydrochloride
• InChIKey: NPAVKCDQHSYXFT-UHFFFAOYSA-N
• INCHI: 1S/C32H39N5O3.ClH/c1-7-8-15-37-30-24(13-10-14-34-30)27(21-11-9-12-23(16-21)40-6)29(31(37)38)36-32(39)35-28-25(19(2)3)17-22(33)18-26(28)20(4)5;/h9-14,16-20H,7-8,15,33H2,1-6H3,(H2,35,36,39);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)OC.Cl
• PubChem CID: 45265746

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Naphthyridines N-phenylureas Phenylpropanes Cumenes Phenoxy compounds Aniline and substituted anilines Methoxybenzenes Anisoles Pyridinones Alkyl aryl ethers Heteroaromatic compounds Ureas Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-phenylpyridine - N-phenylurea - Naphthyridine - Cumene - Phenylpropane - Anisole - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Pyridinone - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Urea - Lactam - Azacycle - Ether - Primary amine - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrochloride - Organic oxide - Hydrocarbon derivative - 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ACAT1 Tchem Acetyl-CoA acetyltransferase, mitochondrial (1 Activities)

Discover Target: ACAT1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Associated Targets(non-human)

Soat1 Acyl coenzyme A:cholesterol acyltransferase 1 (295 Activities)

Discover Target: Soat1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action