For research use only. Not for therapeutic Use.
iBRD4-BD1 diTFA is selective BRD4 bromodomain inhibitor. iBRD4-BD1 diTFA has inhibition activity for BRD4 bromodomain with an IC50 value of 12 nM. iBRD4-BD1 diTFA can be used for the research of inflammation and oncology[1].
iBRD4-BD1 diTFA has affinity and selectivity for the BET-family BRD4-BD1 with an IC50 value of 12 nM[1].
iBRD4-BD1 diTFA has affinity and selectivity for the BET-family BRD4-BD2, BRD3-BD1, BRD3-BD2, BRD2-BD1 and BRD2-BD2 with IC50 values of 16 μM, 1.0 μM , 75 μM , 280 nM and 7.1 μM, respectively[1].
iBRD4-BD1 (0-50 μM; 72 h) diTFA has cytotoxicity with an EC50 value of 2.3 μM in MM.1S cells[1].
| Catalog Number | I040177 |
| CAS Number | 2839318-20-4 |
| Synonyms | 2-(2-methyl-5-propan-2-ylphenoxy)-4-[3-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-yl]pyrimidine;2,2,2-trifluoroacetic acid |
| Molecular Formula | C33H32F9N5O5 |
| Purity | ≥95% |
| InChI | InChI=1S/C29H30F3N5O.2C2HF3O2/c1-18(2)21-5-4-19(3)25(16-21)38-28-34-15-12-24(36-28)27-26(20-6-8-22(9-7-20)29(30,31)32)35-17-37(27)23-10-13-33-14-11-23;2*3-2(4,5)1(6)7/h4-9,12,15-18,23,33H,10-11,13-14H2,1-3H3;2*(H,6,7) |
| InChIKey | GUUBIJTYNCEMRN-UHFFFAOYSA-N |
| SMILES | CC1=C(C=C(C=C1)C(C)C)OC2=NC=CC(=N2)C3=C(N=CN3C4CCNCC4)C5=CC=C(C=C5)C(F)(F)F.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O |
| Reference | [1]. Anand Divakaran, et al. Development of an N-Terminal BRD4 Bromodomain-Targeted Degrader. ACS Med Chem Lett. 2022 Sep 29;13(10):1621-1627. |
