[CAS NO. 1808160-52-2] CF53
PRODUCTS SPECIFICATIONS [1808160-52-2]
DESCRIPTION [1808160-52-2]
Overview
| MDL | - |
|---|---|
| Molecular Weight | 443.50 |
| Molecular Formula | C24H25N7O2 |
| SMILES | COC1=C(C2=C(C)ON=C2C)C=C(NC3=C4C(NC5=CC(C6CC6)=NN5C)=NC(C)=N3)C4=C1 |
Summary
CF53 is a highly potent, selective and orally active inhibitor of BET protein, with a K i of <1 nM, K d of 2.2 nM and an IC 50 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] .
IC50 & Target
|
BRD4 (BD1) <1 nM (Ki) |
BRD4 (BD1) 2 nM (IC 50 ) |
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) |
||||||
In Vitro
CF53 (Compound 28) binds to both the BD1 and BD2 domains of BRD2, BRD3, BRD4, and BRDT BET proteins with high affinities, K
d
s are 1.1 nM (BRD2 BD1), 0.6 nM (BRD2 BD2), 0.52 nM (BRD3 BD1), 0.49 nM (BRD3 BD2), 0.8 nM (BRD4 BD2), 2 nM (BRDT BD1), 2.1 nM (BRDT BD2), 47 nM (CREBBP), 570 nM (CECR2), 110 nM (EP300), respectively
[1]
.
CF53 exhibits IC
50
s of 7, 85 nM against MOLM-13 acute leukemia and MDA-MB-231 breast cancer cell lines, respectively
[1]
.
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
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] .
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Appearance
Solid
Shipping
Room temperature in continental US; may vary elsewhere.
Storage
-20°C, stored under nitrogen
* In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)
Solvent & Solubility
DMSO : 110 mg/mL ( 248.03 mM ; Need ultrasonic)
Stock Solutions
| Concentration Solvent Mass | 1 mg | 5 mg | 10 mg |
|---|
| 1 mM | 2.2548 mL | 11.2740 mL | 22.5479 mL |
| 5 mM | 0.4510 mL | 2.2548 mL | 4.5096 mL |
| 10 mM | 0.2255 mL | 1.1274 mL | 2.2548 mL |
-
1.
-
2.
Add each solvent one by one: 10% DMSO >> 90% corn oil
Solubility: ≥ 1.83 mg/mL (4.13 mM); Clear solution
