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EP4 receptor antagonist 7

CAT: 0931-T204782-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T204782-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3035217-40-1
Target
Prostaglandin Receptor, Interleukin
Related Pathways
GPCR/G Protein, Immunology/Inflammation
Bioactivity
EP4 receptor antagonist 7 (Compound 14) is an antagonist of the prostaglandin E2 (PGE2) receptor subtype EP4, with an IC50 of 1.1 nM. This compound inhibits PGE2-induced β-arrestin recruitment in HEK293 cells with an IC50 of 0.9 nM. In RAW 264.7 macrophages, it reduces the expression of PGE2-induced IL-4, macrophage mannose receptor 1 (Mrc1), chitinase-like protein 3 (Chil3), chemokine (C-X-C motif) ligand 1 (Cxcl1), triggering receptor expressed on myeloid cells 2 (Trem2), and arginase 1 (Arg1) mRNA. In the CT26 mouse colon cancer model, EP4 receptor antagonist 7, combined with an anti-PD-1 antibody, inhibits tumor growth and enhances CD8+ T cell infiltration into the tumor.
Smiles
O=C(O)C1=CC=C(C=C1)CNC(=O)C2=C3C=CC=CC3=NN2CC4=CC=C(C=C4)C(F)(F)F
Molecular Formula
C24H18F3N3O3
Molecular Weight
453.413
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

EP4 Antagonist 14
CAS Number3035217-40-1
PubChem CID171361355
IUPAC Name4-[[[2-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carbonyl]amino]methyl]benzoic acid
Molecular FormulaC24H18F3N3O3
Molecular Weight453.4
XLogP4.7
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity688
SMILES
C1=CC2=C(N(N=C2C=C1)CC3=CC=C(C=C3)C(F)(F)F)C(=O)NCC4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C24H18F3N3O3/c25-24(26,27)18-11-7-16(8-12-18)14-30-21(19-3-1-2-4-20(19)29-30)22(31)28-13-15-5-9-17(10-6-15)23(32)33/h1-12H,13-14H2,(H,28,31)(H,32,33)
InChIKey
MLXNRQYLAVQFEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of EP4 Antagonist 14
CAS: 3035217-40-1
CID: 171361355
Formula: C24H18F3N3O3
MW: 453.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.4
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass453.13002593
Monoisotopic Mass453.13002593
Topological Polar Surface Area84.2 Ų
Heavy Atom Count33
Formal Charge0
Complexity688
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

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