RO5028442

RO5028442 is a brain-penetrant antagonist of vasopressin V1a receptors (Kis = 1 and 39 nM for the human and mouse receptors, respectively). It is greater than 30,000-fold selective for V1 over V2 receptors, as well as over a panel of 120 receptors, ion channels, and enzymes at 3 µM.Formal Name: [6-chloro-1-[2-(dimethylamino)ethyl]-1H-indol-3-yl]spiro[isobenzofuran-1(3H),4'-piperidin]-1'-yl-methanone. CAS Number: 920022-47-5. Molecular Formula: C25H28ClN3O2. Formula Weight: 438.0. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: Chloroform: 10 mg/ml. lambdamax: 224 nm. SMILES: O=C(N1CCC2(CC1)OCC3=C2C=CC=C3)C4=CN(CCN(C)C)C5=C4C=CC(Cl)=C5. InChi Code: InChI=1S/C25H28ClN3O2/c1-27(2)13-14-29-16-21(20-8-7-19(26)15-23(20)29)24(30)28-11-9-25(10-12-28)22-6-4-3-5-18(22)17-31-25/h3-8,15-16H,9-14,17H2,1-2H3. InChi Key: QZXVLRCMAHJVIP-UHFFFAOYSA-N.