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MedKoo Cat#: 562664 | Name: ZINC17167211

Description:

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

ZINC17167211 is a selective agonist of peroxisome proliferator activated receptors-α (PPAR-α).

Chemical Structure

ZINC17167211
ZINC17167211
CAS#592539-21-4 (non-specific stereomer)

Theoretical Analysis

MedKoo Cat#: 562664

Name: ZINC17167211

CAS#: 592539-21-4 (non-specific stereomer)

Chemical Formula: C24H17FN2O6S

Exact Mass: 480.0791

Molecular Weight: 480.46

Elemental Analysis: C, 60.00; H, 3.57; F, 3.95; N, 5.83; O, 19.98; S, 6.67

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
ZINC17167211; ZINC-17167211; ZINC 17167211;
IUPAC/Chemical Name
3-[5-[(Z)-[3-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-2-methylbenzoic acid
InChi Key
RWPIODBMAVXTEP-JAIQZWGSSA-N
InChi Code
InChI=1S/C24H17FN2O6S/c1-13-17(3-2-4-18(13)23(30)31)19-10-9-16(33-19)11-20-22(29)27(24(32)34-20)12-21(28)26-15-7-5-14(25)6-8-15/h2-11H,12H2,1H3,(H,26,28)(H,30,31)/b20-11-
SMILES Code
O=C(O)C1=CC=CC(C2=CC=C(/C=C(SC(N3CC(NC4=CC=C(F)C=C4)=O)=O)/C3=O)O2)=C1C
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
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 480.46 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: Li J, Wang H, Li J, Bao J, Wu C. Discovery of a Potential HER2 Inhibitor from Natural Products for the Treatment of HER2-Positive Breast Cancer. Int J Mol Sci. 2016 Jul 1;17(7). pii: E1055. doi: 10.3390/ijms17071055. PubMed PMID: 27376283; PubMed Central PMCID: PMC4964431. 2: Gangwal RP, Damre MV, Das NR, Sharma SS, Sangamwar AT. Biological evaluation and structural insights for design of subtype-selective peroxisome proliferator activated receptor-α (PPAR-α) agonists. Bioorg Med Chem Lett. 2015 Jan 15;25(2):270-5. doi: 10.1016/j.bmcl.2014.11.052. Epub 2014 Nov 26. PubMed PMID: 25491112.

View History

IGGi-11

IGGi-11