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PPARγ phosphorylation inhibitor 1

CAT: 0931-T62554-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T62554-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2882975-84-8
Target
PPAR
Related Pathways
Metabolism, DNA Damage/DNA Repair
Purity
0.9986
Bioactivity
PPARγ phosphorylation inhibitor 1 (Compound 10) is an effective PPARγ agonist (IC50=24 nM) that inhibits CDK5-mediated PPARγ Ser273 phosphorylation (IC50=160 nM) and exhibits antidiabetic activity.
Smiles
O=C(O)C1=NN(C(=O)C=2C=C(OC=3C=CC=CC3)C=CC12)CC4=CC=C(Cl)C(Cl)=C4
Molecular Formula
C22H14Cl2N2O4
Molecular Weight
441.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PPARgamma phosphorylation inhibitor 1
CAS Number2882975-84-8
PubChem CID163201213
IUPAC Name3-[(3,4-dichlorophenyl)methyl]-4-oxo-6-phenoxyphthalazine-1-carboxylic acid
Molecular FormulaC22H14Cl2N2O4
Molecular Weight441.3
XLogP5.1
Topological Polar Surface Area79.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity682
SMILES
C1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=NN(C3=O)CC4=CC(=C(C=C4)Cl)Cl)C(=O)O
InChI
InChI=1S/C22H14Cl2N2O4/c23-18-9-6-13(10-19(18)24)12-26-21(27)17-11-15(30-14-4-2-1-3-5-14)7-8-16(17)20(25-26)22(28)29/h1-11H,12H2,(H,28,29)
InChIKey
IQKNCBUBONVBNJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PPARgamma phosphorylation inhibitor 1
CAS: 2882975-84-8
CID: 163201213
Formula: C22H14Cl2N2O4
MW: 441.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.3
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass440.0330623
Monoisotopic Mass440.0330623
Topological Polar Surface Area79.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity682
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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Alternative Products

CatalogName
BUP24195-01PPARγ phosphorylation inhibitor 1
MBS5805236PPARgamma phosphorylation Inhibitor 1
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