| Identification | Back Directory | [Name]
CF53 | [CAS]
1808160-52-2 | [Synonyms]
CF53
CF-53,CF53
9H-Pyrimido[4,5-b]indol-4-amine, N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethyl-4-isoxazolyl)-6-methoxy-2-methyl- | [Molecular Formula]
C24H25N7O2 | [MDL Number]
MFCD31807607 | [MOL File]
1808160-52-2.mol | [Molecular Weight]
443.5 |
| Chemical Properties | Back Directory | [density ]
1.50±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO : 110 mg/mL (248.03 mM) | [form ]
Solid | [pka]
11.93±0.50(Predicted) | [color ]
Light yellow to yellow |
| Hazard Information | Back Directory | [Uses]
CF53 is a highly potent, selective and orally active inhibitor of BET protein, with a Ki of <1 nM, Kd of 2.2 nM and an IC50 of 2 nM for BRD4 BD1. CF53 binds to both the BD1 and BD2 domains of BRD2, BRD3, BRD4, and BRDT BET proteins with high affinities, very selective over non-BET bromodomain-containing proteins. CF53 shows potent anti-tumor activity both in vitro and in vivo[1]. | [in vivo]
CF53 (25, 50 mg/kg, p.o.) exhibits potent anti-tumor activity both in MDA-MB-231 xenograft tumor model and in RS4;11 model in mice[1]. | [IC 50]
BRD4 (BD1): <1 nM (Ki); BRD4 (BD1): 2 nM (IC50); BRD4 (BD1): 2.2 nM (Kd); BRD4 (BD2): 0.8 nM (Kd); BRD2 (BD2): 0.6 nM (Kd); BRD2 (BD1): 1.1 nM (Kd); BRD3 (BD2): 0.49 nM (Kd); BRD3 (BD1): 0.52 nM (Kd); BRDT (BD2): 1 nM (Kd); BRDT (BD1): 2 nM (Kd); CECR2: 570 nM (Kd) | [References]
[1] Zhao Y, et al. Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor. J Med Chem. 2018 Jul 26;61(14):6110-6120. DOI:10.1021/acs.jmedchem.8b00483 |
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https://www.bocsci.com |
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