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EP4 receptor agonist 3

CAT: 0804-HY-172099Size: 1 EachDry Ice: NoHazardous: No
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Description
EP4 receptor agonist 3 is an EP4 receptor agonist that can be used in the study of colitis models in mice with DSS[1].
CAS Number
634193-29-6
UNSPSC
12352005
Target
Prostaglandin Receptor
Related Pathways
GPCR/G Protein
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Smiles
O=C(CCCCCCN1C(CC[C@@H]1/C=C/[C@H](C(F)(C2=CC=CC=C2)F)O)=O)O
Molecular Formula
C21H27F2NO4
Molecular Weight
395.44
References & Citations
[1]Kantham S, et al. Development of novel GI-centric prostaglandin E2 receptor type 4 (EP4) agonist prodrugs as treatment for ulcerative colitis and other intestinal inflammatory diseases. Bioorg Med Chem Lett. 2025 Jan 8;119:130093.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

7-{(2R)-2-[(1E,3R)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-5-oxopyrrolidin-1-yl}heptanoic Acid
CAS Number634193-29-6
PubChem CID10272021
IUPAC Name7-[(2R)-2-[(E,3R)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid
Molecular FormulaC21H27F2NO4
Molecular Weight395.4
XLogP2.7
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count28
Formal Charge0
Complexity547
SMILES
C1CC(=O)N([C@H]1/C=C/[C@H](C(C2=CC=CC=C2)(F)F)O)CCCCCCC(=O)O
InChI
InChI=1S/C21H27F2NO4/c22-21(23,16-8-4-3-5-9-16)18(25)13-11-17-12-14-19(26)24(17)15-7-2-1-6-10-20(27)28/h3-5,8-9,11,13,17-18,25H,1-2,6-7,10,12,14-15H2,(H,27,28)/b13-11+/t17-,18+/m0/s1
InChIKey
HWLGHEIVNKULQQ-SLKVGHROSA-N
Chemical Structure
2D Structure
2D structure of 7-{(2R)-2-[(1E,3R)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-5-oxopyrrolidin-1-yl}heptanoic Acid
CAS: 634193-29-6
CID: 10272021
Formula: C21H27F2NO4
MW: 395.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.4
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass395.19081467
Monoisotopic Mass395.19081467
Topological Polar Surface Area77.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity547
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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