| Identification | Back Directory | [Name]
TC-E 5001 | [CAS]
865565-29-3 | [Synonyms]
TC-E 5001
TC E 5001,TCE 5001
3-(4-Methoxyphenyl)-5-[[[4-(4-methoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole | [Molecular Formula]
C20H19N5O3S | [MDL Number]
MFCD14811685 | [MOL File]
865565-29-3.mol | [Molecular Weight]
409.46 |
| Chemical Properties | Back Directory | [Boiling point ]
631.5±65.0 °C(Predicted) | [density ]
1.35±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
Soluble to 100 mM in DMSO | [form ]
Powder | [pka]
1.43±0.10(Predicted) | [color ]
white | [InChI]
1S/C20H19N5O3S/c1-13-22-23-20(25(13)15-6-10-17(27-3)11-7-15)29-12-18-21-19(24-28-18)14-4-8-16(26-2)9-5-14/h4-11H,12H2,1-3H3 | [InChIKey]
LQZSHPITKSPDLC-UHFFFAOYSA-N | [SMILES]
CC1=NN=C(SCC2=NC(C3=CC=C(C=C3)OC)=NO2)N1C(C=C4)=CC=C4OC |
| Hazard Information | Back Directory | [Uses]
TC-E 5001 is a wnt pathway antagonist, which inhibits tankyrases 1 and 2 via novel adenosine pocket binding. | [Biological Activity]
Cell permeable: yes''Primary Target
TNKS1/PARP5a and TNKS2/PARP5b''Reversible: yes | [IC 50]
TNKS1: 79 nM (Ki); TNKS2: 28 nM (Ki) | [storage]
Store at -20°C |
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