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Bocidelpar

CAT: 0931-T39516-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T39516-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2095128-20-2
Target
PPAR
Related Pathways
DNA Damage/DNA Repair, Metabolism
Purity
0.9805
Bioactivity
Bocidelpar is a modulator of PPARδ with an EC50 of 7.80 nM and improves mitochondrial biogenesis and function in Duchenne Muscular Dystrophy muscle cells.
Smiles
C[C@H](CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(cc1)C(F)(F)F)CC(O)=O
Molecular Formula
C25H27F3N2O3
Molecular Weight
460.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bocidelpar
CAS Number2095128-20-2
PubChem CID126752383
IUPAC Name(3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid
Molecular FormulaC25H27F3N2O3
Molecular Weight460.5
XLogP5.5
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity610
SMILES
CC1=CN=C(N1CC2=CC=CC=C2OCCC[C@@H](C)CC(=O)O)C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C25H27F3N2O3/c1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)25(26,27)28/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32)/t17-/m1/s1
InChIKey
FMOPHFSPINWSOV-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of Bocidelpar
CAS: 2095128-20-2
CID: 126752383
Formula: C25H27F3N2O3
MW: 460.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.5
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass460.19737721
Monoisotopic Mass460.19737721
Topological Polar Surface Area64.4 Ų
Heavy Atom Count33
Formal Charge0
Complexity610
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA4441-1Bocidelpar

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