512176-96-4

Basic information

• Product Name: 2H-Pyrrol-2-one, 4-acetyl-1-(3-chlorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-
• Synonyms: 2H-Pyrrol-2-one, 4-acetyl-1-(3-chlorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-;3-acetyl-1-(3-chlorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one
• CAS NO: 512176-96-4
• Molecular Formula: C₁₈H₂₀ClNO₃
• Molecular Weight: 333.81
• Mol File: 512176-96-4.mol

Chemical Properties

• Boiling Point: 490.275°C at 760 mmHg
• Flash Point: 250.309°C
• Appearance: /
• Density: 1.335g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.618
• CAS DataBase Reference: 2H-Pyrrol-2-one, 4-acetyl-1-(3-chlorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-(CAS DataBase Reference)
• NIST Chemistry Reference: 2H-Pyrrol-2-one, 4-acetyl-1-(3-chlorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-(512176-96-4)
• EPA Substance Registry System: 2H-Pyrrol-2-one, 4-acetyl-1-(3-chlorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-(512176-96-4)

Safety Data

• Hazardous Substances Data: 512176-96-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C18H20ClNO3/c1-11(21)15-16(12-6-3-2-4-7-12)20(18(23)17(15)22)14-9-5-8-13(19)10-14/h5,8-10,12,16,22H,2-4,6-7H2,1H3

Upstream product

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Relevant articles and documents

Pyrrolone Derivatives as Intracellular Allosteric Modulators for Chemokine Receptors: Selective and Dual-Targeting Inhibitors of CC Chemokine Receptors 1 and 2

The recent crystal structures of CC chemokine receptors 2 and 9 (CCR2 and CCR9) have provided structural evidence for an allosteric, intracellular binding site. The high conservation of residues involved in this site suggests its presence in most chemokine receptors, including the close homologue CCR1. By using [3H]CCR2-RA-[R], a high-affinity, CCR2 intracellular ligand, we report an intracellular binding site in CCR1, where this radioligand also binds with high affinity. In addition, we report the synthesis and biological characterization of a series of pyrrolone derivatives for CCR1 and CCR2, which allowed us to identify several high-affinity intracellular ligands, including selective and potential multitarget antagonists. Evaluation of selected compounds in a functional [35S]GTPγS assay revealed that they act as inverse agonists in CCR1, providing a new manner of pharmacological modulation. Thus, this intracellular binding site enables the design of selective and multitarget inhibitors as a novel therapeutic approach.

Pyrrolidinone derivatives

The present invention provides pharmaceutical compositions and novel compounds useful in the treatment of conditions mediated by CCR2, MCP-1 or the interaction thereof. The compounds of the present invention are pyrrolidinones and pyrrolidine-thiones.