WAY-100635 maleate, 5-HT1A receptor antagonist

Key facts

CAS number

634908-75-1

Purity

>98%

Form

Solid

form

Molecular weight

538.6 Da

Molecular formula

C₂₉H₃₈N₄O₆

PubChem

11957721

Nature

Synthetic

Solubility

Soluble in water to 50 mM

Biochemical name

WAY-100635 maleate salt

Biological description

Potent, selective, silent 5-HT1A receptor antagonist (IC50 = 1.35 nM). Displays >100-fold selectivity for 5-HT1Arelative to a range of other CNS receptors including other 5-HT subtypes, adrenoceptors, dopamine, GABA, histamine and ion channels. Binds selectively to rodent brain 5-HT1A receptors *in vivo* (iv admin). Unlike WAY100135, WAY100635 displays no partial agonist activity in the ventral hippocampus of rats.

Canonical smiles

COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.C(=CC(=O)O)C(=O)O

Isomeric smiles

COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.C(=C\C(=O)O)\C(=O)O

InChi

InChI=1S/C25H34N4O2.C4H4O4/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21;5-3(6)1-2-4(7)8/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChiKey

XIGAHNVCEFUYOV-BTJKTKAUSA-N

IUPAC Name

(Z)-but-2-enedioic acid;N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide