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Evatanepag

CAT: 0804-HY-14839-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-14839-02Size:10 mM - 1 mL
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Description
Evatanepag (CP-533536) is a non-prostanoid, potent and selective EP2 receptor agonist. Evatanepag can induce local bone formation in vivo. Evatanepag can be used in the research of fractures, bone defects, asthma[1][2].
CAS Number
223488-57-1
Product Name Alternative
CP-533536 free acid
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Prostaglandin Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
COVID-19-immunoregulation
Field of Research
Endocrinology; Inflammation/Immunology; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/Evatanepag.html
Purity
99.78
Solubility
DMSO : ≥ 32 mg/mL
Smiles
CC(C)(C)C(C=C1)=CC=C1CN(S(C2=CN=CC=C2)(=O)=O)CC3=CC(OCC(O)=O)=CC=C3
Molecular Formula
C25H28N2O5S
Molecular Weight
468.57
Precautions
H302, H315, H319, H335
References & Citations
[1]Cameron KO, et al. Discovery of CP-533536: an EP2 receptor selective prostaglandin E2 (PGE2) agonist that induces local bone formation. Bioorg Med Chem Lett. 2009 Apr 1;19 (7) :2075-8.|[2]Judith Plaza, et al. In Vitro and In Vivo Validation of EP2-Receptor Agonism to Selectively Achieve Inhibition of Mast Cell Activity. Allergy Asthma Immunol Res. 2020 Jul;12 (4) :712-728. |[3]V M Paralkar, et al. An EP2 receptor-selective prostaglandin E2 agonist induces bone healing. Proc Natl Acad Sci U S A. 2003 May 27;100 (11) :6736-40.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
EP

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