LY-456220

LY-456220
Identifiers
	IUPAC name (S)-1-(2-(4-(6-fluoro-1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl)ethyl)isochromane-6-carboxamide;
CAS Number	439081-94-4;
PubChem CID	69904149;
Chemical and physical data
Formula	C25H26FN3O2
Molar mass	419.500 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C1CN(CC=C1C2=CNC3=C2C=CC(=C3)F)CCC4C5=C(CCO4)C=C(C=C5)C(=O)N;
	InChI InChI=1S/C25H26FN3O2/c26-19-2-4-21-22(15-28-23(21)14-19)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30)/t24-/m0/s1; Key:AYGLZYIWAZBQDC-DEOSSOPVSA-N;

LY-456220 is a potent and selective serotonin 5-HT_1D receptor antagonist which has been used in research to study the function of presynaptic 5-HT_1D autoreceptors. LY-456220 lacks significant affinity for the 5-HT_1B, α₁ adrenergic, and dopamine D₂ receptors.^[1]^[2] It is an enantiomer of LY-456219.

References

^ Pullar IA, Boot JR, Broadmore RJ, Eyre TA, Cooper J, Sanger GJ, et al. (June 2004). "The role of the 5-HT1D receptor as a presynaptic autoreceptor in the guinea pig". European Journal of Pharmacology. 493 (1–3): 85–93. doi:10.1016/j.ejphar.2004.04.029. PMID 15189767.
^ Timms GH, Boot JR, Broadmore RJ, Carney SL, Cooper J, Findlay JD, et al. (May 2004). "SAR development of a selective 5-HT1D antagonist/serotonin reuptake inhibitor lead using rapid parallel synthesis". Bioorganic & Medicinal Chemistry Letters. 14 (10): 2469–72. doi:10.1016/j.bmcl.2004.03.003. PMID 15109634.

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Identifiers

IUPAC name (S)-1-(2-(4-(6-fluoro-1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl)ethyl)isochromane-6-carboxamide
CAS Number	439081-94-4
PubChem CID	69904149
Chemical and physical data
Formula	C₂₅H₂₆FN₃O₂
Molar mass	419.500 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C1CN(CC=C1C2=CNC3=C2C=CC(=C3)F)CCC4C5=C(CCO4)C=C(C=C5)C(=O)N
InChI InChI=1S/C25H26FN3O2/c26-19-2-4-21-22(15-28-23(21)14-19)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30)/t24-/m0/s1 Key:AYGLZYIWAZBQDC-DEOSSOPVSA-N