49675-66-7 (HM30181 Free base);
849675-87-2 (HM30181 mesylate salt);
849675-88-3 (HM30181 HCl salt) is an oral P-glycoprotein (P-gp) inhibitor developed to enhance the oral bioavailability of P-gp substrate drugs. HM30181 showed the highest potency (IC(50)=0.63nM) among several MDR1 inhibitors, including cycloporin A, XR9576, and GF120918, and effectively blocked transepithelial transport of paclitaxel in MDCK monolayers (IC(50)=35.4nM). HM30181 is currently under Phase I trials. HM30181 was well tolerated after oral administration within the dose range evaluated, with the exception of the repeated administration of 360 mg, for which gastrointestinal disorders were frequently reported. The systemic exposure of HM30181 was relatively low, and dose proportional properties of HM30181 were not observed.
Name: HM-30181 mesylate
CAS#: 849675-87-2 (mesylate)
Chemical Formula: C39H40N6O10S
Exact Mass: 688.26455
Molecular Weight: 784.841
Elemental Analysis: C, 59.68; H, 5.14; N, 10.71; O, 20.39; S, 4.08
CAS#: 849675-87-2 (mesylate)
Chemical Formula: C39H40N6O10S
Exact Mass: 688.26455
Molecular Weight: 784.841
Elemental Analysis: C, 59.68; H, 5.14; N, 10.71; O, 20.39; S, 4.08
Synonym: HM30181; HM-30181; HM 30181; HM-30181 mesylate
IUPAC/Chemical Name: N-(2-(2-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)-2H-tetrazol-5-yl)-4,5-dimethoxyphenyl)-4-oxo-4H-chromene-2-carboxamide methanesulfonate
InChi Key: PEKXWELLWNPUOK-UHFFFAOYSA-N
InChi Code: InChI=1S/C38H36N6O7.CH4O3S/c1-47-32-17-24-14-16-43(22-25(24)18-33(32)48-2)15-13-23-9-11-26(12-10-23)44-41-37(40-42-44)28-19-34(49-3)35(50-4)20-29(28)39-38(46)36-21-30(45)27-7-5-6-8-31(27)51-36;1-5(2,3)4/h5-12,17-21H,13-16,22H2,1-4H3,(H,39,46);1H3,(H,2,3,4)
SMILES Code: O=C(NC1=CC(OC)=C(C=C1C2=NN(N=N2)C3=CC=C(C=C3)CCN4CC5=C(CC4)C=C(C(OC)=C5)OC)OC)C6=CC(C7=C(C=CC=C7)O6)=O.OS(=O)(C)=O
