[CAS NO. 1883548-89-7] NI-57
PRODUCTS SPECIFICATIONS [1883548-89-7]
DESCRIPTION [1883548-89-7]
Overview
| MDL | - |
|---|---|
| Molecular Weight | 383.42 |
| Molecular Formula | C19H17N3O4S |
| SMILES | COC1=CC(C#N)=CC=C1S(NC2=CC3=C(C=C2)N(C)C(C(C)=C3)=O)(=O)=O |
Summary
IC50 & Target
IC50: 3.1 nM (BRPF1), 46 nM (BRPF2 (BRD1)), 140 nM (BRPF3) [1]
In Vitro
NI-57 is an inhibitor of bromodomain and plant homeodomain finger-containing (BRPF), with IC 50 s of 3.1, 46 and 140 nM for BRPF1, BRPF2 (BRD1) and BRPF3, respectively. NI-57 binds the BRD of BRPF1 with a K d of 31 ± 2 nM, BRD1 with a K d of 110 ± 13 nM, and BRPF3 with a K d of 410 ± 47 nM, whereas binding to BRD9 is weaker (K d 1000 ± 130 nM) measured by isothermal titration calorimetry. NI-57 shows less active effect on BRD9 (IC 50 , 520 nM) and BRD4 (BD1) (IC 50 , 3700 nM), TRIM24 (IC 50 , 1600 nM). NI-57 also inhibits BRPF BRDs in the nucleus, but shows little effect on the proliferation of many cancer cell lines with GI 50 s of 10.4 μM (NCI-H1703 cells), 14.7 μM (DMS114), 15.6 μM (HRA-19), and 16.6 μM (RERF-LC-Sq1). Furthermore, Inhibition on BRPF1 of NI-57 (10 μM) reduces the gene expression of CCL-22 by 27.7 ± 9.4% [1] .
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
NI-57 has favorable oral bioavailability 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
| Powder | -20°C | 3 years |
|---|---|---|
| 4°C | 2 years | |
| In solvent | -80°C | 6 months |
| -20°C | 1 month |
Solvent & Solubility
DMSO : 100 mg/mL ( 260.81 mM ; Need ultrasonic)
Stock Solutions
| Concentration Solvent Mass | 1 mg | 5 mg | 10 mg |
|---|
| 1 mM | 2.6081 mL | 13.0405 mL | 26.0811 mL |
| 5 mM | 0.5216 mL | 2.6081 mL | 5.2162 mL |
| 10 mM | 0.2608 mL | 1.3041 mL | 2.6081 mL |
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Add each solvent one by one: 10% DMSO >> 90% corn oil
Solubility: ≥ 2.5 mg/mL (6.52 mM); Clear solution