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Evatanepag

CAT: 0931-T15259-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T15259-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
223488-57-1
Target
Prostaglandin Receptor
Related Pathways
Immunology/Inflammation, GPCR/G Protein
Purity
0.9968
Bioactivity
Evatanepag (CP-533536 free acid) is an EP2 receptor selective prostaglandin E2 (PGE2) agonist that induces local bone formation with EC50 of 0.3 nM.CP-533536 demonstrated the ability to heal fractures when administered locally as a single dose in rat models of fracture healing.
Smiles
CC(C)(C)c1ccc(CN(Cc2cccc(OCC(O)=O)c2)S(=O)(=O)c2cccnc2)cc1
Molecular Formula
C25H28N2O5S
Molecular Weight
468.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Evatanepag

Evatanepag is a monocarboxylic acid.

CAS Number223488-57-1
PubChem CID9890801
IUPAC Name2-[3-[[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetic acid
Molecular FormulaC25H28N2O5S
Molecular Weight468.6
XLogP4.2
Topological Polar Surface Area105
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity722
SMILES
CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC(=CC=C2)OCC(=O)O)S(=O)(=O)C3=CN=CC=C3
InChI
InChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29)
InChIKey
WOHRHWDYFNWPNG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Evatanepag
CAS: 223488-57-1
CID: 9890801
Formula: C25H28N2O5S
MW: 468.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight468.6
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass468.17189317
Monoisotopic Mass468.17189317
Topological Polar Surface Area105 Ų
Heavy Atom Count33
Formal Charge0
Complexity722
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