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PPARγ agonist 7

CAT: 0931-T61417-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T61417-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2569295-93-6
Target
Others, PPAR
Related Pathways
DNA Damage/DNA Repair, Metabolism, Others
Bioactivity
PPARγ agonist 7 (Compound 3a) is a highly potent and selective peroxisome proliferator-activated receptor gamma (PPARγ) agonist, which specifically stimulates adiponectin production in human bone marrow mesenchymal stem cells (hBM-MSCs), demonstrating an innovative full agonist profile with an EC50 value of 4.34 μM [1].
Smiles
C(\CCCCCCCC/C=C\1/C(=O)O[C@@H](C)[C@H]1O)=C\2/C(=O)O[C@@H](C)[C@H]2O
Molecular Formula
C20H30O6
Molecular Weight
366.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PPARgamma agonist 7
CAS Number2569295-93-6
PubChem CID156755187
IUPAC Name(3E,4S,5S)-4-hydroxy-3-[(10E)-10-[(4S,5S)-4-hydroxy-5-methyl-2-oxooxolan-3-ylidene]decylidene]-5-methyloxolan-2-one
Molecular FormulaC20H30O6
Molecular Weight366.4
XLogP3.4
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity515
SMILES
C[C@@H]1OC(=O)/C(=C/CCCCCCCC/C=C\2/C(=O)O[C@H]([C@H]2O)C)/[C@@H]1O
InChI
InChI=1S/C20H30O6/c1-13-17(21)15(19(23)25-13)11-9-7-5-3-4-6-8-10-12-16-18(22)14(2)26-20(16)24/h11-14,17-18,21-22H,3-10H2,1-2H3/b15-11+,16-12+/t13-,14-,17+,18+/m0/s1
InChIKey
KCJDQTLZAGPZQB-WBYKRSRGSA-N
Chemical Structure
2D Structure
2D structure of PPARgamma agonist 7
CAS: 2569295-93-6
CID: 156755187
Formula: C20H30O6
MW: 366.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight366.4
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass366.20423867
Monoisotopic Mass366.20423867
Topological Polar Surface Area93.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity515
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes