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PA-082

CAT: 0931-T68245-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T68245-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
95520-87-9
Target
Others
Related Pathways
Others
Bioactivity
PA-082 is a Novel partial agonist of peroxisome proliferator-activated receptor-γ (PPARγ), recruiting PPARγ-coactivator-1α, preventing triglyceride accumulation, and potentiating insulin signaling in vitro.
Smiles
C(C=1C2=C(C(CN3CCC(CC3)C4=C(OC)C=CC=C4)=CN1)C=C(OC)C(OC)=C2)C5=CC(OC)=C(OC)C=C5
Molecular Formula
C33H38N2O5
Molecular Weight
542.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PA-082
CAS Number95520-87-9
PubChem CID6852196
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]isoquinoline
Molecular FormulaC33H38N2O5
Molecular Weight542.7
XLogP6
Topological Polar Surface Area62.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count40
Formal Charge0
Complexity748
SMILES
COC1=C(C=C(C=C1)CC2=NC=C(C3=CC(=C(C=C32)OC)OC)CN4CCC(CC4)C5=CC=CC=C5OC)OC
InChI
InChI=1S/C33H38N2O5/c1-36-29-9-7-6-8-25(29)23-12-14-35(15-13-23)21-24-20-34-28(16-22-10-11-30(37-2)31(17-22)38-3)27-19-33(40-5)32(39-4)18-26(24)27/h6-11,17-20,23H,12-16,21H2,1-5H3
InChIKey
DJEGOJNHRNRMHS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PA-082
CAS: 95520-87-9
CID: 6852196
Formula: C33H38N2O5
MW: 542.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight542.7
XLogP36
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass542.27807232
Monoisotopic Mass542.27807232
Topological Polar Surface Area62.3 Ų
Heavy Atom Count40
Formal Charge0
Complexity748
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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