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YUN90389

CAT: 0931-T70290-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T70290-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1673590-38-9
Target
Others
Related Pathways
Others
Bioactivity
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) .
Smiles
C(CCC1=CC=C(C=C1)C2=CC(CC(O)=O)=C(OCC)C=C2)C=3N(C(=O)N(N3)C4=CC=C(C(F)(F)F)C=C4)C5=C(F)C=CC=C5
Molecular Formula
C34H29F4N3O4
Molecular Weight
619.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

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
CAS Number1673590-38-9
PubChem CID91663316
IUPAC Name2-[2-ethoxy-5-[4-[3-[4-(2-fluorophenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propyl]phenyl]phenyl]acetic acid
Molecular FormulaC34H29F4N3O4
Molecular Weight619.6
XLogP7.3
Topological Polar Surface Area82.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count45
Formal Charge0
Complexity1030
SMILES
CCOC1=C(C=C(C=C1)C2=CC=C(C=C2)CCCC3=NN(C(=O)N3C4=CC=CC=C4F)C5=CC=C(C=C5)C(F)(F)F)CC(=O)O
InChI
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)
InChIKey
YIUSVSPYCXFTHR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 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
CAS: 1673590-38-9
CID: 91663316
Formula: C34H29F4N3O4
MW: 619.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight619.6
XLogP37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass619.20941906
Monoisotopic Mass619.20941906
Topological Polar Surface Area82.4 Ų
Heavy Atom Count45
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS5812831YUN90389

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