PF-04745637

PF-04745637
Identifiers
	IUPAC name 1-(4-chlorophenyl)-N-[(2R)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopentane-1-carboxamide;
CAS Number	1917294-46-2;
PubChem CID	121304827;
ChEMBL	ChEMBL4208555;
CompTox Dashboard (EPA)	DTXSID401336640 ;
Chemical and physical data
Formula	C27H32ClF3N2O2
Molar mass	509.01 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)NC[C@@H](CC3=CC=CC=C3)N4CCC(CC4)(C(F)(F)F)O;
	InChI InChI=1S/C27H32ClF3N2O2/c28-22-10-8-21(9-11-22)25(12-4-5-13-25)24(34)32-19-23(18-20-6-2-1-3-7-20)33-16-14-26(35,15-17-33)27(29,30)31/h1-3,6-11,23,35H,4-5,12-19H2,(H,32,34)/t23-/m1/s1; Key:PAEBEJVPSADOMC-HSZRJFAPSA-N;

PF-04745637 is a drug which acts as a potent and selective antagonist for the TRPA1 receptor, with an IC₅₀ of 17nM, vs ~3μM at the related TRPV1 and TRPM channels. It has antiinflammatory effects and was developed as a potential treatment for conditions such as atopic dermatitis.^[1]

References

^ Pryde DC, Marron B, West CG, Reister S, Amato G, Yoger K, et al. (2016). "The discovery of a potent series of carboxamide TRPA1 antagonists". MedChemComm. 7 (11): 2145–58. doi:10.1039/C6MD00387G.

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[1] Pryde DC, Marron B, West CG, Reister S, Amato G, Yoger K, et al. (2016). "The discovery of a potent series of carboxamide TRPA1 antagonists". MedChemComm. 7 (11): 2145–58. doi:10.1039/C6MD00387G.

[1]

Identifiers

IUPAC name 1-(4-chlorophenyl)-N-[(2R)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopentane-1-carboxamide
CAS Number	1917294-46-2
PubChem CID	121304827
ChEMBL	ChEMBL4208555
CompTox Dashboard (EPA)	DTXSID401336640
Chemical and physical data
Formula	C₂₇H₃₂ClF₃N₂O₂
Molar mass	509.01 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)NC[C@@H](CC3=CC=CC=C3)N4CCC(CC4)(C(F)(F)F)O
InChI InChI=1S/C27H32ClF3N2O2/c28-22-10-8-21(9-11-22)25(12-4-5-13-25)24(34)32-19-23(18-20-6-2-1-3-7-20)33-16-14-26(35,15-17-33)27(29,30)31/h1-3,6-11,23,35H,4-5,12-19H2,(H,32,34)/t23-/m1/s1 Key:PAEBEJVPSADOMC-HSZRJFAPSA-N