L-368,899 (hydrochloride)

L-368,899 is a non-peptide oxytocin receptor antagonist (IC50s = 8.9 and 26 nM in radioligand binding assays using isolated human and rat uterus, respectively). It is selective for oxytocin receptors over vasopressin V1a and V2 receptors (IC50s = 370 and 570 nM, respectively). L-368,899 reduces oxytocin-induced contraction of isolated rat uterus (pA2 = 8.9) and in situ rat uterus (ED50 = 0.35 mg/kg, i.v.).Formal Name: [1S-[1alpha,2alpha(R*),4beta]]-2-amino-N-[7,7-dimethyl-1-[[[4-(2-methylphenyl)-1-piperazinyl]sulfonyl]methyl]bicyclo[2.2.1]hept-2-yl]-4-(methylsulfonyl)-butanamide, monohydrochloride. CAS Number: 160312-62-9. Molecular Formula: C26H42N4O5S2 . HCl. Formula Weight: 591.2. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: DMSO: 100 mM, Water: 100 mM. lambdamax: 241 nm. SMILES: O=C([C@@H](N)CCS(C)(=O)=O)N[C@H]1C[C@H]2CC[C@@]1(C2(C)C)CS(N3CCN(C4=C(C)C=CC=C4)CC3)(=O)=O.Cl. InChi Code: InChI=1S/C26H42N4O5S2.ClH/c1-19-7-5-6-8-22(19)29-12-14-30(15-13-29)37(34,35)18-26-11-9-20(25(26,2)3)17-23(26)28-24(31)21(27)10-16-36(4,32)33,/h5-8,20-21,23H,9-18,27H2,1-4H3,(H,28,31),1H/t20-,21+,23+,26-,/m1./s1. InChi Key: GIUFQWFJHXXXEQ-SWJTYIIKSA-N.