LY-456219

LY-456219
Identifiers
	IUPAC name (R)-1-(2-(4-(6-fluoro-1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl)ethyl)isochromane-6-carboxamide;
CAS Number	721417-35-2;
PubChem CID	90987586;
ChemSpider	7977949;
ChEMBL	ChEMBL83617;
Chemical and physical data
Formula	C25H26FN3O2
Molar mass	419.500 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES O=C(C1=CC2=C([C@@H](CCN3CC=C(C4=CNC5=C4C=CC(F)=C5)CC3)OCC2)C=C1)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-/m1/s1; Key:AYGLZYIWAZBQDC-XMMPIXPASA-N;

LY-456219 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-456219 lacks significant affinity for the 5-HT_1B, α₁ adrenergic, and dopamine D₂ receptors. ^[1]^[2]

References[]

^ Pullar IA, Boot JR, Broadmore RJ, Eyre TA, Cooper J, Sanger GJ, Wedley S, Mitchell SN (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, Graham H.; Boot, John R.; Broadmore, Richard J.; Carney, Steven L.; Cooper, Jane; Findlay, Jeremy D.; Gilmore, Jeremy; Mitchell, Stephen; Moore, Nick A.; Pullar, Ian; Sanger, Graham J.; Tomlinson, Rosemary; Tree, Beverly B.; Wedley, Susan (2004-05-17). "SAR development of a selective 5-HT1D antagonist/serotonin reuptake inhibitor lead using rapid parallel synthesis". Bioorganic & Medicinal Chemistry Letters. 14 (10): 2469–2472. doi:10.1016/j.bmcl.2004.03.003. PMID 15109634.

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[pmid15189767-1] Pullar IA, Boot JR, Broadmore RJ, Eyre TA, Cooper J, Sanger GJ, Wedley S, Mitchell SN (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.

[2] Timms, Graham H.; Boot, John R.; Broadmore, Richard J.; Carney, Steven L.; Cooper, Jane; Findlay, Jeremy D.; Gilmore, Jeremy; Mitchell, Stephen; Moore, Nick A.; Pullar, Ian; Sanger, Graham J.; Tomlinson, Rosemary; Tree, Beverly B.; Wedley, Susan (2004-05-17). "SAR development of a selective 5-HT1D antagonist/serotonin reuptake inhibitor lead using rapid parallel synthesis". Bioorganic & Medicinal Chemistry Letters. 14 (10): 2469–2472. doi:10.1016/j.bmcl.2004.03.003. PMID 15109634.

[1]

[2]

Identifiers

IUPAC name (R)-1-(2-(4-(6-fluoro-1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl)ethyl)isochromane-6-carboxamide
CAS Number	721417-35-2
PubChem CID	90987586
ChemSpider	7977949
ChEMBL	ChEMBL83617
Chemical and physical data
Formula	C₂₅H₂₆FN₃O₂
Molar mass	419.500 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES O=C(C1=CC2=C([C@@H](CCN3CC=C(C4=CNC5=C4C=CC(F)=C5)CC3)OCC2)C=C1)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-/m1/s1 Key:AYGLZYIWAZBQDC-XMMPIXPASA-N