(S)-WAY 100135, 5-HT1A receptor antagonist

Key facts

CAS number

149007-54-5

Purity

>99%

Form

Solid

form

Molecular weight

468.5 Da

Molecular formula

C₂₄H₃₅Cl₂N₃O₂

PubChem

14801907

Nature

Synthetic

Solubility

Soluble in water to 10 mM

Soluble in DMSO to 100 mM

Biochemical name

(S)-N-Tert-butyl-3-(4-(2-methoxyphenyl)-piperazin-1-YL)-2-phenylpropanamide dihydrochloride

Biological description

Potent, selective 5-HT1A receptor antagonist (IC50 = 15 nM). Active *in vivo*.

Canonical smiles

CC(C)(C)NC(=O)C(CN1CCN(CC1)C2=CC=CC=C2OC)C3=CC=CC=C3.Cl.Cl

Isomeric smiles

CC(C)(C)NC(=O)[C@H](CN1CCN(CC1)C2=CC=CC=C2OC)C3=CC=CC=C3.Cl.Cl

InChi

InChI=1S/C24H33N3O2.2ClH/c1-24(2,3)25-23(28)20(19-10-6-5-7-11-19)18-26-14-16-27(17-15-26)21-12-8-9-13-22(21)29-4;;/h5-13,20H,14-18H2,1-4H3,(H,25,28);2*1H/t20-;;/m1../s1

InChiKey

VJGZNBYDSDEOED-FAVHNTAZSA-N

IUPAC Name

(2S)-N-tert-butyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide;dihydrochloride