WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 565496
Description: YUN90389, also known as PPARalpha/delta-IN-11, is a the first reported pparα/δ dual antagonist. YUN90389 was first reported in Bioorganic & Medicinal Chemistry Letters (2019), 29(3), 503-508. YUN90389 has CAS#1673590-38-9. This product has no formal name at the moment. For the convenience of communication, a temporary code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).
MedKoo Cat#: 565496
Chemical Formula: C34H29F4N3O4
Exact Mass: 619.2094
Molecular Weight: 619.6166
Elemental Analysis: C, 65.91; H, 4.72; F, 12.26; N, 6.78; O, 10.33
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Related CAS #: 1673590-38-9 (free base) 2313527-30-7 (sodium)
Synonym: YUN90389; YUN 90389; YUN-90389; PPARalpha/delta-IN-11; PPARalpha/delta IN 11; PPARalpha/deltaIN11
IUPAC/Chemical Name: 2-(4-Ethoxy-4'-(3-(4-(2-fluorophenyl)-5-oxo-1-(4-(trifluoromethyl)phenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl)-[1,1'-biphenyl]-3-yl)acetic acid
InChi Key: YIUSVSPYCXFTHR-UHFFFAOYSA-N
InChi Code: InChI=1S/C34H29F4N3O4/c1-2-45-30-19-14-24(20-25(30)21-32(42)43)23-12-10-22(11-13-23)6-5-9-31-39-41(27-17-15-26(16-18-27)34(36,37)38)33(44)40(31)29-8-4-3-7-28(29)35/h3-4,7-8,10-20H,2,5-6,9,21H2,1H3,(H,42,43)
SMILES Code: O=C(O)CC1=CC(C2=CC=C(CCCC(N3C4=CC=CC=C4F)=NN(C5=CC=C(C(F)(F)F)C=C5)C3=O)C=C2)=CC=C1OCC
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: >3 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
The following data is based on the product molecular weight 619.6166 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.
|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|
Discovery of potent and selective PPARα/δ dual antagonists and initial biological studies
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By Jacintho, Jason D.; Baccei, Christopher S.; Bravo, Yalda; Broadhead, Alex; Chen, Austin; Correa, Lucia; Fischer, Kim; Laffitte, Bryan; Lee, Catherine; Lorrain, Daniel S.; et al
From Bioorganic & Medicinal Chemistry Letters (2019), 29(3), 503-508. | Language: English, Database: CAPLUS