| Identification | Back Directory | [Name]
PROTAC BRD4 ligand-1 | [CAS]
2313230-51-0 | [Synonyms]
PROTAC BRD4 ligand-1
PROTAC BRD4 ligand 1,PROTAC BRD4 ligand1,PROTAC BRD-4 ligand-1
2H-2,4,7-Triazadibenz[cd,f]azulene-9-carboxylic acid, 7-(3,5-difluoro-2-pyridinyl)-3,4,6,7-tetrahydro-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-
8-(3,5-difluoropyridin-2-yl)-15-methyl-4-(methylsulfonylmethyl)-14-oxo-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-5-carboxylic acid | [Molecular Formula]
C23H18F2N4O5S | [MDL Number]
MFCD32689573 | [MOL File]
2313230-51-0.mol | [Molecular Weight]
500.47 |
| Chemical Properties | Back Directory | [Boiling point ]
874.1±65.0 °C(Predicted) | [density ]
1.68±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO: 5 mg/mL (9.99 mM) | [form ]
Solid | [pka]
3.28±0.20(Predicted) | [color ]
Light yellow to yellow | [InChIKey]
BSYGSSMAXOMCQE-UHFFFAOYSA-N | [SMILES]
C1=C2C3C(=CN(C)C(=O)C=3N1)C1=CC(CS(C)(=O)=O)=C(C(O)=O)C=C1N(C1=NC=C(F)C=C1F)C2 |
| Hazard Information | Back Directory | [Uses]
PROTAC BRD4 ligand-1 is a potent BET inhibitor and a ligand for target BRD4 protein for PROTACT GNE-987 (HY-129937A)[1]. | [storage]
Store at -20°C | [References]
[1] Pillow TH, et al. Antibody Conjugation of a Chimeric BET Degrader Enables in vivo Activity. ChemMedChem. 2019 Oct 31. DOI:10.1002/cmdc.201900497 |
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