Product Name :
MK-4101
Description:
MK-4101 is a Smoothened (SMO) antagonist (IC50 of 1.1 µM for 293 cells ) and also a potent inhibitor of the hedgehog pathway (IC50 of 1.5 µM for mouse cells; IC50 of 1 µM for KYSE180 oesophageal cancer cells). MK-4101 has robust antitumor activity that inhibits tumor cell proliferation and induces extensive apoptosis.
CAS:
935273-79-3
Molecular Weight:
493.47
Formula:
C24H24F5N5O
Chemical Name:
5-(3,3-difluorocyclobutyl)-3-(4-4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylbicyclo[2.2.2]octan-1-yl)-1,2,4-oxadiazole
Smiles :
CN1C(=NN=C1C12CCC(CC1)(CC2)C1N=C(ON=1)C1CC(F)(F)C1)C1=CC=CC=C1C(F)(F)F
InChiKey:
HKJOIWLYDJCTQR-UHFFFAOYSA-N
InChi :
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
Purity:
≥98% (or refer to the Certificate of Analysis)
Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis
Storage Condition :
Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.Dihydromyricetin In Vitro
Shelf Life:
≥12 months if stored properly.
Stock Solution Storage:
0 – 4 oC for 1 month or refer to the Certificate of Analysis.
Additional information:
MK-4101 is a Smoothened (SMO) antagonist (IC50 of 1.1 µM for 293 cells ) and also a potent inhibitor of the hedgehog pathway (IC50 of 1.5 µM for mouse cells; IC50 of 1 µM for KYSE180 oesophageal cancer cells). MK-4101 has robust antitumor activity that inhibits tumor cell proliferation and induces extensive apoptosis.|Product information|CAS Number: 935273-79-3|Molecular Weight: 493.47|Formula: C24H24F5N5O|Chemical Name: 5-(3,3-difluorocyclobutyl)-3-(4-4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylbicyclo[2.2.2]octan-1-yl)-1,2,4-oxadiazole|Smiles: CN1C(=NN=C1C12CCC(CC1)(CC2)C1N=C(ON=1)C1CC(F)(F)C1)C1=CC=CC=C1C(F)(F)F|InChiKey: HKJOIWLYDJCTQR-UHFFFAOYSA-N|InChi: 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|Technical Data|Appearance: Solid Power|Purity: ≥98% (or refer to the Certificate of Analysis)|Solubility: DMSO : ≥ 50 mg/mL (101.32 mM).|Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis|Storage Condition: Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.Miridesap medchemexpress |Shelf Life: ≥12 months if stored properly.PMID:32011599 |Stock Solution Storage: 0 – 4 oC for 1 month or refer to the Certificate of Analysis.|Drug Formulation: To be determined|HS Tariff Code: 382200|How to use|In Vitro:|MK-4101 inhibits Hh signaling both in a reporter gene assay in an engineered mouse cell line with an IC50 of 1.5 µM, and in human KYSE180 oesophageal cancer cells with an IC50 of 1 µM. MK-4101 displaces a fluorescently-labeled cyclopamine derivative from 293 cells expressing recombinant human SMO with an IC50 of 1.1 µM, implying that the compound binds to SMO. MK4101 also inhibits the proliferation of medulloblastoma cells derived from neonatallyirradiated Ptch1-/+ mice in vitro with an IC50 of 0.3 µM. MK-4101 (10 µM; 60 hours, 72 hours; medulloblastoma or BCC cells) treatment shows cell cycle arrest with a nearly complete disappearance of the S phase subpopulation, a prominent increase of the G1 population and, to a minor extent, of the G2 population. MK-4101 (10 µM; medulloblastoma or BCC cells) treatment significantly reduces cyclin D1 protein and accumulation of cyclin B1 protein.|In Vivo:|MK-4101 (40-80 mg/kg; oral administration; for 3.5 weeks; CD1 nude female mice) treatment shows tumor growth inhibition (40 and 80 mg/kg ) and tumor regression at the highest dose (80 mg/kg). MK-4101 treatment shows a dose-dependent down-regulation of Gli1 mRNA. The maximum effect for tumor inhibition and hedgehog pathway downregulation is achieved at 80 mg/kg.|Products are for research use only. Not for human use.|
