2. NF-κB Metabolic Enzyme/Protease Immunology/Inflammation
  3. Keap1-Nrf2 Reactive Oxygen Species
  4. Nrf2-IN-3

Nrf2-IN-3 (Compound R16) is a small-molecule NRF2 inhibitor and increases reactive oxygen species (ROS) production. Nrf2-IN-3 selectively binds KEAP1 mutants and restores their NRF2-inhibitory function by repairing the disrupted KEAP1/NRF2 interactions, leading to proteasome-dependent NRF2 degradation in cells. Nrf2-IN-3 sensitizes KEAP1-mutated tumor cells to Cisplatin (HY-17394),Gefitinib (HY-50895), and KEAP1 G333C-mutated xenograft to Cisplatin .

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Nrf2-IN-3 Chemical Structure

Nrf2-IN-3 Chemical Structure

CAS No. : 6325-13-9

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Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO
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Based on 1 publication(s) in Google Scholar

Nrf2-IN-3 Related Antibodies

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Description

Nrf2-IN-3 (Compound R16) is a small-molecule NRF2 inhibitor and increases reactive oxygen species (ROS) production. Nrf2-IN-3 selectively binds KEAP1 mutants and restores their NRF2-inhibitory function by repairing the disrupted KEAP1/NRF2 interactions, leading to proteasome-dependent NRF2 degradation in cells. Nrf2-IN-3 sensitizes KEAP1-mutated tumor cells to Cisplatin (HY-17394),Gefitinib (HY-50895), and KEAP1 G333C-mutated xenograft to Cisplatin [1].

In Vitro

Nrf2-IN-3 selectively sensitizes KEAP1-mutated cells, but not WT-KEAP1 cells, to Cisplatin (HY-17394) and Gefitinib (HY-50895) respectively [1].
Nrf2-IN-3 (24 h) selectively inhibits ARE-luc activity in KEAP1-mutated cells (A549, H1648, and H322 cells), with IC50s of 6.5 μM (A549), 7.3 μM (H1648), 5.7 μM (H322), respectively[1].
Nrf2-IN-3 (0-10 μM, 24 h) degrades NRF2 expression in A549, H1648, and H322 cells, which is mediated by the proteasome[1].
Nrf2-IN-3 binds KEAP1 mutants (G333C, G364C, and R460S mutants) and restores their capability to form mKEAP1/NRF2 complexes but has no effect on WT-KEAP1[1].
Nrf2-IN-3 (5, 10μM, 24 h) decreases NRF2 protein and increases reactive oxygen species (ROS) production in A549 (KEAP1 G333C mutation), but not A549 (WT-KEAP1) cells[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Nrf2-IN-3 Related Antibodies

Cell Cytotoxicity Assay[1]

Cell Line: A549,H1648, H3229 cells
Concentration: 0-10 μM
Incubation Time: 72 h
Result: The IC50 (µM) of Cisplatin and Gefitinib in the presence and absence of Nrf2-IN-3 for 72 h.
A549 (G33C) H1648 (G364C) H322 (R460S)
Cisplatin 0.81 1.33 4.6
Cisplatin + 0.1 µM Nrf2-IN-3 0.13 0.23 3.5
Cisplatin + 0.5 µM Nrf2-IN-3 0.07 0.17 0.9
Gefitinib 2.5 3.4 4.4
Gefitinib + 0.5 µM Nrf2-IN-3 0.36 0.67 0.92

Western Blot Analysis[1]

Cell Line: A549,H1648, H3229 cells
Concentration: 0,0.5, 1, 2, 5, 10 μM
Incubation Time: 24 h
Result: Resulted in a decrease of NRF2 protein, and cells co-exposure to Epoxomicin (HY-13821) (1 μM) and Nrf2-IN-3 (5 μM) restored NRF2 levels.
Had no effect on NRF2 mRNA levels at 5 and 10 μM.
Reduced the mRNA levels of NQO1 and GCLM, two target genes of NRF2.
In Vivo

Nrf2-IN-3 (110 mg/kg i.p. daily for 5 days per week for six weeks) inhibits tumor growth and selectively sensitizes mKEAP1 A549ctl xenograft to Cisplatin (HY-17394)[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model: Palpable tumors were generated by subcutaneous injection of a million A549ctl or A549(WT-KEAP1) cells in the flank of NOD-SCID mice[1].
Dosage: 110 mg/kg for Nrf2-IN-3 and 2 mg/kg for Cisplatin.
Administration: Combination of Cisplatin (2 mg/kg) and Nrf2-IN-3 (110 mg/kg). The treatment started on day 18 after subcutaneous injection of A549ctl cells. Mice were treated i.p. with R16 at 110 mg/kg daily for 5 consecutive days per week, Cisplatin at 2 mg/kg twice per week, or the combination of both, or the vehicle
Result: Combination of Cisplatin and Nrf2-IN-3 strongly inhibited the growth of A549ctl xenograft, while Cisplatin or Nrf2-IN-3 alone has no effect[1].
Cisplatin alone or in combination with Nrf2-IN-3 significantly inhibited the growth of A549(WT-KEAP1) xenograft, but Nrf2-IN-3 did not significantly enhance the efficacy of cisplatin against this WT-KEAP1 tumor[1].
Cisplatin alone caused slight, but significant, weight loss, Nrf2-IN-3 did not enhance Cisplatin toxicity.
Nrf2-IN-3 alone or in combination with Cisplatin significantly decreased the levels of the NRF2 protein in the A549ctl tumors but not in the A549(WT-KEAP1) tumors.
Molecular Weight

442.53

Formula

C22H26N4O4S
CAS No.
Appearance

Solid

Color

White to off-white

SMILES

O=C(CCCSCCCC(N/N=C/C1=C(O)C=CC=C1)=O)N/N=C/C2=C(O)C=CC=C2
Shipping

Room temperature in continental US; may vary elsewhere.
Storage
Powder -20°C 3 years
In solvent -80°C 6 months
-20°C 1 month
Solvent & Solubility
In Vitro: 

DMSO : 116.67 mg/mL (263.64 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions
Concentration Solvent Mass 1 mg 5 mg 10 mg
1 mM 2.2597 mL 11.2987 mL 22.5973 mL
5 mM 0.4519 mL 2.2597 mL 4.5195 mL
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* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

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Purity & Documentation
References

Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Optional Solvent Concentration Solvent Mass 1 mg 5 mg 10 mg 25 mg
DMSO 1 mM 2.2597 mL 11.2987 mL 22.5973 mL 56.4933 mL
5 mM 0.4519 mL 2.2597 mL 4.5195 mL 11.2987 mL
10 mM 0.2260 mL 1.1299 mL 2.2597 mL 5.6493 mL
15 mM 0.1506 mL 0.7532 mL 1.5065 mL 3.7662 mL
20 mM 0.1130 mL 0.5649 mL 1.1299 mL 2.8247 mL
25 mM 0.0904 mL 0.4519 mL 0.9039 mL 2.2597 mL
30 mM 0.0753 mL 0.3766 mL 0.7532 mL 1.8831 mL
40 mM 0.0565 mL 0.2825 mL 0.5649 mL 1.4123 mL
50 mM 0.0452 mL 0.2260 mL 0.4519 mL 1.1299 mL
60 mM 0.0377 mL 0.1883 mL 0.3766 mL 0.9416 mL
80 mM 0.0282 mL 0.1412 mL 0.2825 mL 0.7062 mL
100 mM 0.0226 mL 0.1130 mL 0.2260 mL 0.5649 mL
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Nrf2-IN-3 Related Classifications

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  • Do most proteins show cross-species activity?

    Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

Nrf2-IN-36325-13-9Keap1-Nrf2Reactive Oxygen SpeciesA549H1648H3229BT20H838drug-resistantKEAP1 mutationantitumorInhibitorinhibitorinhibit

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