MedKoo Cat#: 522549 | Name: CC618

Description:

WARNING: This product is for research use only, not for human or veterinary use.

CC618 is a potent and selective PPARβ/δ antagonist. CC618 selectively antagonizes agonist-induced PPARβ/δ activity with an IC50 = 10.0 μM. The treatment of PPARβ/δ with CC618 leads to a covalent modification of Cys249, located centrally in the PPARβ/δ ligand binding pocket, corresponding to the conversion of its thiol moiety to a 5-trifluoromethyl-2-pyridylthioether.

Chemical Structure

CC618
CC618
CAS#1680204-90-3

Theoretical Analysis

MedKoo Cat#: 522549

Name: CC618

CAS#: 1680204-90-3

Chemical Formula: C20H15F6N3O3S2

Exact Mass: 523.0459

Molecular Weight: 523.47

Elemental Analysis: C, 45.89; H, 2.89; F, 21.78; N, 8.03; O, 9.17; S, 12.25

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
CC618; CC-618; CC 618.
IUPAC/Chemical Name
4-methyl-2-(4-(trifluoromethyl)phenyl)-N-(2-((5-(trifluoromethyl)pyridin-2-yl)sulfonyl)ethyl)thiazole-5-carboxamide
InChi Key
AZZXDJUUKNGRAK-UHFFFAOYSA-N
InChi Code
InChI=1S/C20H15F6N3O3S2/c1-11-16(33-18(29-11)12-2-4-13(5-3-12)19(21,22)23)17(30)27-8-9-34(31,32)15-7-6-14(10-28-15)20(24,25)26/h2-7,10H,8-9H2,1H3,(H,27,30)
SMILES Code
O=C(C1=C(C)N=C(C2=CC=C(C(F)(F)F)C=C2)S1)NCCS(=O)(C3=NC=C(C(F)(F)F)C=C3)=O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO, not in water
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 523.47 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Kaupang Å, Kase ET, Vo CX, Amundsen M, Vik A, Hansen TV. Synthesis of 5-trifluoromethyl-2-sulfonylpyridine PPARβ/δ antagonists: Effects on the affinity and selectivity towards PPARβ/δ. Bioorg Med Chem. 2015 Dec 10. pii: S0968-0896(15)30177-2. doi: 10.1016/j.bmc.2015.12.012. [Epub ahead of print] PubMed PMID: 26707845. 2: Kaupang Å, Paulsen SM, Steindal CC, Ravna AW, Sylte I, Halvorsen TG, Thoresen GH, Hansen TV. Synthesis, biological evaluation and molecular modeling studies of the PPARβ/δ antagonist CC618. Eur J Med Chem. 2015 Apr 13;94:229-36. doi: 10.1016/j.ejmech.2015.03.006. Epub 2015 Mar 5. PubMed PMID: 25768705.