1680204-90-3
1680204-90-3
Chemical Structure
CC618
- CAS No.: 1680204-90-3
- Formula:C20H15F6N3O3S2
- Molecular Weight:523.47
IUPAC Name: 4-methyl-2-(4-(trifluoromethyl)phenyl)-N-(2-((5-(trifluoromethyl)pyridin-2-yl)sulfonyl)ethyl)thiazole-5-carboxamide
InChIKey: AZZXDJUUKNGRAK-UHFFFAOYSA-N
SMILES: O=C(NCCS(=O)(C1=NC=C(C=C1)C(F)(F)F)=O)C2=C(N=C(S2)C3=CC=C(C=C3)C(F)(F)F)C
Biological Activity: CC618 is a selective PPARβ/δ antagonist. CC618 covalently modifies conserved Cys249 in the PPARβ/δ ligand-binding pocket via nucleophilic aromatic substitution, converting its thiol moiety to a 5-trifluoromethyl-2-pyridylthioether[1][2].
| Cat. No. | Product Name | Purity | Description | Pricing | |||||||||||||||||||
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CC618 | 99.94% | CC618 is a selective PPARβ/δ antagonist. CC618 covalently modifies conserved Cys249 in the PPARβ/δ ligand-binding pocket via nucleophilic aromatic substitution, converting its thiol moiety to a 5-trifluoromethyl-2-pyridylthioether. | ||||||||||||||||||||
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References
- [1]. Kaupang Å, et al. Synthesis, biological evaluation and molecular modeling studies of the PPARβ/δ antagonist CC618. Eur J Med Chem. 2015;94:229-236. [Content Brief]
- [2]. Kaupang Å, et al. Involvement of Covalent Interactions in the Mode of Action of PPARβ/δ Antagonists. RSC Adv. 2015 Aug;5(93):76483-76490.
