| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 100mg |
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| 250mg |
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| Other Sizes |
| Targets |
NI-42 targets the bromodomains of BRPF1, BRPF2 (also known as BRD1), and BRPF3. BRPF proteins are epigenetic readers that recognize acetylated lysine residues on histones and are involved in chromatin remodeling and transcriptional regulation. By inhibiting the BRPF bromodomains, NI-42 disrupts the reading of acetylation marks, affecting gene expression programs. The compound is a biased inhibitor, showing preference for BRPF1 over BRPF2 and BRPF3.
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| ln Vitro |
For BRD7, BRD9, and BRD4 (BD1), the IC50 values of NI-42 are 82, 310, and 4500 nM, respectively, whereas the Kd for BRD9 is 1130 nM[1].
In vitro, NI-42 potently inhibits BRPF1, BRPF2, and BRPF3 bromodomains with IC₅₀ values of 7.9 nM, 48 nM, and 260 nM, respectively. Binding affinities (Kd) are 40 nM, 210 nM, and 940 nM for BRPF1, BRPF2, and BRPF3, respectively. The compound demonstrates excellent selectivity over non-class IV BRD proteins. In cellular assays, NI-42 engages BRPF bromodomains and modulates downstream gene expression. The compound is suitable for biochemical and cellular assays. |
| ln Vivo |
In vivo, NI-42 is described as a potent, selective, and orally active BRPF1 bromodomain inhibitor. The compound's oral bioavailability enables in vivo target engagement studies. It has been used as a chemical probe to investigate BRPF function in biological systems. Detailed in vivo efficacy data are available in the primary literature. The compound's selectivity profile makes it useful for studying BRPF-specific biological pathways.
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| Enzyme Assay |
In vitro bromodomain binding assays for NI-42 typically use AlphaScreen, TR-FRET, or fluorescence polarization (FP) technology. Recombinant BRPF bromodomains (BRPF1, BRPF2, BRPF3) are incubated with biotinylated acetylated histone peptide and the compound at various concentrations. The signal is measured according to the assay platform. IC₅₀ values are calculated from dose-response curves using nonlinear regression. Binding affinity (Kd) is determined by isothermal titration calorimetry (ITC) or surface plasmon resonance (SPR). Controls include DMSO vehicle and a known BRPF inhibitor. Assays are performed in triplicate at room temperature.
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| Cell Assay |
For cell-based assays, relevant cell lines (e.g., HEK-293, HeLa, or cancer cell lines) are cultured in DMEM with 10% FBS. Cells are seeded in 96-well or 6-well plates and treated with NI-42 at various concentrations (0.001-10 μM) for 4-24 hours. Target engagement is assessed by cellular BRPF bromodomain occupancy using NanoBRET or CETSA. Gene expression changes are measured by RT-PCR or RNA-seq. Cell viability is assessed by MTT or CellTiter-Glo. Western blotting may be used to assess downstream signaling. All treatments include vehicle controls and are performed in triplicate.
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| Animal Protocol |
In vivo, NI-42 is typically administered orally to rodents at doses of 1-30 mg/kg. Formulation may involve suspension in 0.5% methylcellulose or other suitable vehicles. Pharmacodynamic studies assess target engagement by measuring BRPF occupancy in tissues. Efficacy studies may be conducted in disease models relevant to BRPF biology. Plasma and tissue concentrations are measured by LC-MS/MS for PK/PD correlation. Dosing regimens may involve single or multiple daily administrations. All procedures follow institutional animal care guidelines.
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| ADME/Pharmacokinetics |
NI-42 is a potent, selective, and orally active BRPF1 bromodomain inhibitor. The compound is soluble in DMSO. It has a molecular weight of 353.40 (C₁₈H₁₅N₃O₃S). The compound shows good selectivity and is suitable for in vivo applications. Detailed pharmacokinetic parameters (bioavailability, half-life, clearance) are available from preclinical studies. The compound is designed as a chemical probe for epigenetic research.
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| Toxicity/Toxicokinetics |
Toxicology data for NI-42 are limited in publicly available sources. As a bromodomain inhibitor, potential off-target effects on other epigenetic readers should be considered. The compound is for research use only and not intended for human therapeutic applications. Standard safety pharmacology and toxicology studies would be required for therapeutic development. The compound should be handled with standard laboratory safety precautions.
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| References | |
| Additional Infomation |
Proteins that inhibit bromine-containing domains and PHD finger structures; structures are described in the first article.
NI-42 is a research-grade chemical probe for studying BRPF bromodomain function. Its primary applications include epigenetic research, cancer biology, and drug discovery. The compound is not approved for clinical use and has not entered clinical trials. It is a valuable tool for elucidating the role of BRPF proteins in gene regulation and disease. The compound is commercially available from various chemical suppliers for research purposes only. |
| Molecular Formula |
C18H15N3O3S
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|---|---|
| Molecular Weight |
353.395002603531
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| Exact Mass |
353.083
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| CAS # |
1884640-99-6
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| PubChem CID |
118933132
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| Appearance |
Off-white to Pale purple solid powder
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| LogP |
2.1
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
25
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| Complexity |
708
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(C1C=CC(C#N)=CC=1)(NC1C=CC2=C(C=C(C)C(N2C)=O)C=1)(=O)=O
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| InChi Key |
BMVCSXFOQPYKKC-UHFFFAOYSA-N
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| InChi Code |
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
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| Chemical Name |
4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
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| Synonyms |
NI42; NI 42; NI-42
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~282.97 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.07 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 2.5 mg/mL (7.07 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8297 mL | 14.1483 mL | 28.2965 mL | |
| 5 mM | 0.5659 mL | 2.8297 mL | 5.6593 mL | |
| 10 mM | 0.2830 mL | 1.4148 mL | 2.8297 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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