| Identification | Back Directory | [Name]
MT1 BET inhibitor | [CAS]
2060573-82-0 | [Synonyms]
MT1 BET inhibitor
6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, N,N'-3,6,9,12,15,18,21-heptaoxatricosane-1,23-diylbis[4-(4-chlorophenyl)-2,3,9-trimethyl-, (6S,6'S)- | [Molecular Formula]
C54H66Cl2N10O9S2 | [MOL File]
2060573-82-0.mol | [Molecular Weight]
1134.2 |
| Chemical Properties | Back Directory | [density ]
1.39±0.1 g/cm3(Predicted) | [form ]
Solid | [pka]
14.57±0.46(Predicted) | [color ]
Off-white to light yellow | [InChIKey]
JNSLBXJNVHYNNW-CXNSMIOJSA-N | [SMILES]
C(NC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2C(C)=C(C)SC=2N2C(C)=NN=C21)COCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2C(C)=C(C)SC=2N2C(C)=NN=C21 |
| Hazard Information | Back Directory | [Uses]
MT1 is a bivalent chemical probe of BET bromodomains, with an IC50 of 0.789 nM for BRD4(1)[1]. | [in vivo]
MT1 (44.2 and 22.1 μmol/kg, ip daily, for 14 days) significantly delayed leukemia progression in mice (Mus musculus) compared to JQ1[1].
MT1 exhibits terminal t1/2 of 2.70 h in mice[1].
| Animal Model: | Leukemia xenograft models[1]. | | Dosage: | 44.2 and 22.1 μmol/kg. | | Administration: | Intraperitoneally for 14 subsequent days. | | Result: | Significantly reduced leukemic burden over the course of the study compared to either vehicle or JQ1. |
| [References]
[1] Minoru Tanaka, et al. Design and characterization of bivalent BET inhibitors. Nat Chem Biol. 2016 Dec;12(12):1089-1096. DOI:10.1038/nchembio.2209 |
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