ML-18

ML-18 is a non-peptide bombesin receptor subtype 3 (BB3) antagonist that inhibits [125I]BA1 binding to NCI-H1299 lung cancer cells transfected with human BB3 receptors (IC50 = 4.8 µM). It is selective for BB3 over the gastrin releasing peptide receptor (GRPR) and the neuromedin B receptor (NMBR) with IC50 values of 16 and >100 µM, respectively, in a radioligand binding assay. ML-18 (16 µM) reversibly inhibits BA1-induced increases in cytosolic calcium in NCI-H1299 cells. It also inhibits BA1-induced phosphorylation of ERK and EGFR and reduces proliferation of NCI-H1299 cells.Formal Name: (alphaS)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-alpha-[[[(4-nitrophenyl)amino]carbonyl]amino]-1H-indole-3-propanamide. CAS Number: 1422269-30-4. Molecular Formula: C32H35N5O5. Formula Weight: 569.7. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: DMSO: soluble. SMILES: O=C(NCC1(C2=CC=C(OC)C=C2)CCCCC1)[C@@H](NC(NC3=CC=C([N+]([O-])=O)C=C3)=O)CC4=CNC5=C4C=CC=C5. InChi Code: InChI=1S/C32H35N5O5/c1-42-26-15-9-23(10-16-26)32(17-5-2-6-18-32)21-34-30(38)29(19-22-20-33-28-8-4-3-7-27(22)28)36-31(39)35-24-11-13-25(14-12-24)37(40)41/h3-4,7-16,20,29,33H,2,5-6,17-19,21H2,1H3,(H,34,38)(H2,35,36,39)/t29-/m0/s1. InChi Key: JOKVJNCYOSFDGC-LJAQVGFWSA-N.