MK-4101

MK-4101 is a Smoothened (Smo) receptor antagonist. It binds to human recombinant Smo expressed in HEK293T cells (IC50 = 1.1 µM) and inhibits Gli1-mediated hedgehog signaling in a reporter assay (IC50 = 1.5 µM). It is also an inhibitor of 11beta-hydroxy steroid dehydrogenase-1. MK-4101 (40 and 80 mg/kg per day) reduces tumor growth in a murine medulloblastoma mouse allograft model, induces tumor regression when administered at a dose of 80 mg/kg twice per day, and reduces expression of the hedgehog pathway-associated transcription factor Gli1 in tumor tissue.Formal Name: 5-(3,3-difluorocyclobutyl)-3-[4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]bicyclo[2.2.2]oct-1-yl]-1,2,4-oxadiazole. CAS Number: 935273-79-3. Molecular Formula: C24H24F5N5O. Formula Weight: 493.5. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 30 mg/ml, DMSO: 30 mg/ml, Ethanol: 30 mg/ml, Ethanol:PBS (pH 7.2) (1:8): 0.11 mg/ml. SMILES: CN1C(C2=C(C(F)(F)F)C=CC=C2)=NN=C1C34CCC(CC4)(C5=NOC(C6CC(F)(F)C6)=N5)CC3. InChi Code: InChI=1S/C24H24F5N5O/c1-34-17(15-4-2-3-5-16(15)24(27,28)29)31-32-20(34)22-9-6-21(7-10-22,8-11-22)19-30-18(35-33-19)14-12-23(25,26)13-14/h2-5,14H,6-13H2,1H3. InChi Key: HKJOIWLYDJCTQR-UHFFFAOYSA-N.