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EP4 receptor agonist 3

CAT: 0931-T204499-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T204499-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
634193-29-6
Target
Prostaglandin Receptor
Related Pathways
Immunology/Inflammation, GPCR/G Protein
Bioactivity
EP4 receptor agonist 3 is an activator of the EP4 receptor and is useful for research in the DSS-induced colitis mouse model.
Smiles
C(=C/[C@H](C(F)(F)C1=CC=CC=C1)O)\[C@@H]2N(CCCCCCC(O)=O)C(=O)CC2
Molecular Formula
C21H27F2NO4
Molecular Weight
395.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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