CD161

• CAT Number: I005905
• CAS Number: 1627716-22-6
• Molecular Formula: C26H21N5O2
• Molecular Weight: 435.48
• Purity: ≥95%
• IUPAC Name: 4-(6-methoxy-2-methyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
• InChI: InChI=1S/C26H21N5O2/c1-13-23(14(2)33-31-13)19-11-21-18(12-22(19)32-4)24-25(28-15(3)29-26(24)30-21)17-9-10-27-20-8-6-5-7-16(17)20/h5-12H,1-4H3,(H,28,29,30)
• SMILES: CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)NC4=NC(=NC(=C34)C5=CC=NC6=CC=CC=C56)C)OC

CD161 is a potent, orally active and selective BET bromodomain inhibitor (Ki values of 8.2 nM and 1.4 nM for BRD4 BD1 and BD2, respectively). CD161 inhibits cell growth in acute leukemia cell lines and breast cancer cell lines. Moreover, CD161 has an excellent oral pharmacokinetic profile and, orally administered, effectively inhibits tumor growth in mice.
KEYWORDS: CD161 | supplier | BET inhibitor | CD-161 | CD 161 | CAS [1627716-22-6] | Histone | BET (BRD) | Inhibitor | Proteins | BRD4 | Leukemia | Breast Cancer | Bioavailable

Reference

Y Zhao et al. Structure-Based Discovery of 4-(6-Methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole (CD161) as a Potent and Orally Bioavailable BET Bromodomain Inhibitor. J Med Chem. 2017 May 11;60(9):3887-3901.