| Identification | Back Directory | [Name]
4-Cyano-N-(1,2-dihydro-1,3-dimethyl-2-oxo-6-quinolinyl)benzenesulfonamide | [CAS]
1884640-99-6 | [Synonyms]
NI-42 >=98% (HPLC)
BRPF1 inhibitor NI-42
NI-42,Inhibitor,inhibit,NI 42,Epigenetic Reader Domain,NI42
4-Cyano-N-(1,2-dihydro-1,3-dimethyl-2-oxo-6-quinolinyl)benzenesulfonamide | [Molecular Formula]
C18H15N3O3S | [MDL Number]
MFCD30290161 | [MOL File]
1884640-99-6.mol | [Molecular Weight]
353.39 |
| Chemical Properties | Back Directory | [Boiling point ]
554.6±60.0 °C(Predicted) | [density ]
1.43±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMF: 30 mg/ml; DMSO: 30 mg/ml; DMSO:PBS (pH 7.2) (1:3): 0.25 mg/ml | [form ]
A crystalline solid | [pka]
8.05±0.20(Predicted) | [color ]
white to beige | [InChI]
InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3 | [InChIKey]
BMVCSXFOQPYKKC-UHFFFAOYSA-N | [SMILES]
C1(S(NC2C=CC3=C(C=2)C=C(C)C(=O)N3C)(=O)=O)=CC=C(C#N)C=C1 |
| Hazard Information | Back Directory | [Description]
NI-42 is an inhibitor of the bromodomain and PHD finger-containing 1 (BRPF1) bromodomain (IC50 = 7.9 nM). It is selective for BRPF1 over BRPF2/BRD1, BRPF3, BRD9, and BRD4/BD1 (IC50s = 48, 260, 310, and 4,500 nM, respectively). NI-42 inhibits the growth of OCI-AML2, Nomo-1, THP-1, KG-1, and MV-4-11 acute myeloid leukemia (AML) cells (GI50s = 1.3, 4.6, 5.7, 7, and 9.9 μM, respectively) and a variety of non-AML cells (GI50s = 1-10 μM). It also inhibits the growth of DMS114 lung, HRA-19 colon, and RERF-LC-Sq1 lung cancer cells (GI50s = 16.6, 15.6, and 17.1 μM, respectively) but not NCI H1703 lung cancer cells (GI50 = >30 μM). | [Uses]
NI-42 is a new chemical probe for the BRPFs (bromodomain and PHD finger-containing) suitable for cellular and invivo studies to explore the fundamental biology of these proteins. | [IC 50]
BRPF1: 7.9 nM (IC50); BRPF2: 48 nM (IC50); BRPF3: 260 nM (IC50); BRPF1: 40 nM (Kd); BRPF2: 210 nM (Kd); BRPF3: 940 nM (Kd); BRD4 (BD1): 4500 nM (IC50); BRD7: 82 nM (IC50); BRD9: 310 nM (IC50); BRD9: 1130 nM (Kd) | [References]
[1] NIALL IGOE. Design of a Biased Potent Small Molecule Inhibitor of the Bromodomain and PHD Finger-Containing (BRPF) Proteins Suitable for Cellular and in Vivo Studies[J]. Journal of Medicinal Chemistry, 2017, 60 2: 668-680. DOI: 10.1021/acs.jmedchem.6b01583
[2] NIALL IGOE. Design of a Chemical Probe for the Bromodomain and Plant Homeodomain Finger-Containing (BRPF) Family of Proteins[J]. Journal of Medicinal Chemistry, 2017, 60 16: 6998-7011. DOI: 10.1021/acs.jmedchem.7b00611 |
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