PF-04479745

PF-04479745
Legal status
Legal status	In general: uncontrolled;
Identifiers
	IUPAC name (9S)-2-benzyl-N,9-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine;
CAS Number	1065110-43-1 ;
PubChem CID	90644511;
ChemSpider	34218743;
UNII	73HBY5P486;
ChEMBL	ChEMBL3286556;
Chemical and physical data
Formula	C17H22N4
Molar mass	282.391 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C[C@H]1CNCCC2=C1N=C(N=C2NC)CC3=CC=CC=C3;
	InChI InChI=1S/C17H22N4/c1-12-11-19-9-8-14-16(12)20-15(21-17(14)18-2)10-13-6-4-3-5-7-13/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21)/t12-/m0/s1; Key:IHHALLDEDARSAL-LBPRGKRZSA-N;

PF-04479745 is a research ligand developed by Pfizer. It is related to lorcaserin, and acts as a potent and selective agonist for the 5-HT_2C receptor, with lower affinity and antagonist action at the related 5-HT_2A and 5-HT_2B receptor subtypes.^[1]

References

^ Storer RI, Brennan PE, Brown AD, Bungay PJ, Conlon KM, Corbett MS, et al. (June 2014). "Multiparameter optimization in CNS drug discovery: design of pyrimido[4,5-d]azepines as potent 5-hydroxytryptamine 2C (5-HT_2C) receptor agonists with exquisite functional selectivity over 5-HT_2A and 5-HT_2B receptors". Journal of Medicinal Chemistry. 57 (12): 5258–69. doi:10.1021/jm5003292. PMID 24878222.

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Legal status

Legal status	In general: uncontrolled
Identifiers
IUPAC name (9S)-2-benzyl-N,9-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CAS Number	1065110-43-1^Y
PubChem CID	90644511
ChemSpider	34218743
UNII	73HBY5P486
ChEMBL	ChEMBL3286556
Chemical and physical data
Formula	C₁₇H₂₂N₄
Molar mass	282.391 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C[C@H]1CNCCC2=C1N=C(N=C2NC)CC3=CC=CC=C3
InChI InChI=1S/C17H22N4/c1-12-11-19-9-8-14-16(12)20-15(21-17(14)18-2)10-13-6-4-3-5-7-13/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21)/t12-/m0/s1 Key:IHHALLDEDARSAL-LBPRGKRZSA-N