ROS-generating agent 1

Name: ROS-generating agent 1
Brand: MedChemExpress
SKU: HY-149265
Rating: 4.5 (0 reviews)

Cat. No.: HY-149265 Purity: 99.11%: Data Sheet
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ROS-generating agent 1 is a selective ROS-generating agent. ROS-generating agent 1 inhibits TrxR activity and expression in cancer cells. ROS-generating agent 1 induces ROS-dependent apoptosis and ferroptosis in cancer cells. ROS-generating agent 1 selectively kills lung cancer cells and inhibits the growth of cancer cell xenograft tumors in nude mice. ROS-generating agent 1 can be used for the research of non-small cell lung cancer.

For research use only. We do not sell to patients.

ROS-generating agent 1 Chemical Structure

CAS No. : 2369030-41-9

Size	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	In-stock	Estimated Time of Arrival: December 31
10 mg	In-stock	Estimated Time of Arrival: December 31
25 mg	In-stock	Estimated Time of Arrival: December 31
50 mg	In-stock	Estimated Time of Arrival: December 31
100 mg	In-stock	Estimated Time of Arrival: December 31
200 mg	Get quote
500 mg	Get quote

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•Related Screening Libraries:

•Related Small Molecules:

•Related Proteins:

View All TrxR Isoform Specific Products:

View All Isoforms

TrxR1 TrxR2

View All Caspase Isoform Specific Products:

View All Isoforms

Caspase 1 Caspase 2 Caspase 3 Caspase 4 Caspase 5 Caspase 6 Caspase 7 Caspase 8 Caspase 9 Caspase 10 Caspase 12 Caspase Caspase 11 Caspase-13

View All Bcl-2 Family Isoform Specific Products:

View All Isoforms

Bcl-2 Bcl-xL Bcl-W Mcl-1 Bfl-1 Bcl-B Bax Bak Bim BNIP3 Bad

Biological Activity
Purity & Documentation
References
Customer Review

Description

Cellular Effect

Cell Line	Type	Value	Description	References
A549	IC₅₀	5.8 3 Compound: 2c	Cytotoxicity against human A549 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay Cytotoxicity against human A549 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay	[PMID: 36758308]
A549	IC₅₀	5.8 3 Compound: 2c	Cytotoxicity against human A549 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay Cytotoxicity against human A549 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay	[PMID: 36758308]
HepG2	IC₅₀	0.67 3 Compound: 2c	Cytotoxicity against human HepG2 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay Cytotoxicity against human HepG2 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay	[PMID: 36758308]
HT-1080	IC₅₀	0.93 3 Compound: 2c	Cytotoxicity against human HT-1080 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay Cytotoxicity against human HT-1080 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay	[PMID: 36758308]
HT-1080	IC₅₀	0.93 3 Compound: 2c	Cytotoxicity against human HT-1080 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay Cytotoxicity against human HT-1080 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay	[PMID: 36758308]
HepG2	IC₅₀	0.67 3 Compound: 2c	Cytotoxicity against human HepG2 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay Cytotoxicity against human HepG2 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay	[PMID: 36758308]
MRC5	IC₅₀	14.09 3 Compound: 2c	Cytotoxicity against human MRC5 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay Cytotoxicity against human MRC5 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay	[PMID: 36758308]
MRC5	IC₅₀	14.09 3 Compound: 2c	Cytotoxicity against human MRC5 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay Cytotoxicity against human MRC5 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay	[PMID: 36758308]
NCI-H460	IC₅₀	0.44 3 Compound: 2c	Cytotoxicity against human NCI-H460 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay Cytotoxicity against human NCI-H460 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay	[PMID: 36758308]
NCI-H460	IC₅₀	0.44 3 Compound: 2c	Cytotoxicity against human NCI-H460 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay Cytotoxicity against human NCI-H460 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay	[PMID: 36758308]

In Vitro

ROS-generating agent 1 (compound 2c) (48 h) potently and selectively inhibits the viability of NCI-H460 cells (IC₅₀ = 0.44 μM) over normal MRC-5 cells, with a selectivity index of 32.0, and also shows strong cytotoxicity against A549, HepG2, and HT-1080 cancer cells^[1].
ROS-generating agent 1 (0.5-2 μM; 1-12 h) selectively induces time- and concentration-dependent ROS accumulation in NCI-H460 cells but not in normal MRC-5 cells^[1].
ROS-generating agent 1 (9 h) selectively depletes intracellular GSH levels in NCI-H460 cells in a dose-dependent manner, while having no significant effect on MRC-5 cells^[1].
ROS-generating agent 1 (0.5-2 μM; 6 h) dose-dependently inhibits TrxR activity in NCI-H460 cells but has negligible effect on TrxR activity in normal MRC-5 cells^[1].
ROS-generating agent 1 (0.5-2 μM; 6 h) potently and dose-dependently inhibits TrxR activity in NCI-H460 cells, with 2 μM causing 59% inhibition^[1].
ROS-generating agent 1 (0.5-2 μM; 6 h) dose-dependently reduces intracellular TrxR protein levels in NCI-H460 cells, with 2 μM causing 69% suppression^[1].
ROS-generating agent 1 covalently binds to the Sec-498 residue of human TrxR1 with a docking affinity score of −5.494 kcal/mol, forming hydrogen bonds and a cation-π interaction with key active site residues^[1].
ROS-generating agent 1 (0.5-1 μM; 48 h) kills NCI-H460 cells via induction of apoptosis and ferroptosis^[1].
ROS-generating agent 1 (0.5-2 μM; 12-36 h) concentration- and time-dependently reduces mitochondrial membrane potential in NCI-H460 cells^[1].
ROS-generating agent 1 (1-2 μM; 48 h) induces ROS-dependent mitochondrial-mediated apoptosis in NCI-H460 cells, as shown by altered expression of Bcl-2, Bax, caspase-9, and caspase-3^[1].
ROS-generating agent 1 (0.25-0.5 μM; 40 h) selectively induces ferroptosis in a dose-dependent manner in NCI-H460 cells^[1].
ROS-generating agent 1 (0.5-2 μM; 40 h) dose-dependently increases MDA levels in NCI-H460 cells^[1].
ROS-generating agent 1 (0.5-2 μM; 24 h) dose-dependently reduces GPX4 protein levels in NCI-H460 cells^[1].

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

Western Blot Analysis^[1]

Cell Line:	NCI-H460 cells
Concentration:	0.5; 1; 2 μM
Incubation Time:	6 h
Result:	Inhibited intracellular TrxR protein expression in a dose-dependent manner, with 2 μM suppressing 69% of TrxR expression.

Cell Viability Assay^[1]

Cell Line:	NCI-H460 cells
Concentration:	0.5; 1 μM
Incubation Time:	48 h
Result:	Dose-dependently reduced cell viability of NCI-H460 cells.

Western Blot Analysis^[1]

Cell Line:	NCI-H460 cells
Concentration:	1; 2 μM
Incubation Time:	48 h
Result:	Triggered down-regulation of anti-apoptotic Bcl-2, up-regulation of pro-apoptotic Bax, and activation of caspase-9 and caspase-3. These changes were effectively reversed by pretreatment with NAC.

Western Blot Analysis^[1]

Cell Line:	NCI-H460 cells
Concentration:	0.5; 1; 2 μM
Incubation Time:	24 h
Result:	Reduced GPX4 protein expression in a concentration-dependent manner.

In Vivo

ROS-generating agent 1 (compound 2c) (5-15 mg/kg; i.p.; every 2 days; 4 weeks) dose-dependently inhibits non-small cell lung cancer xenograft growth in BALB/c nude mice^[1].

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

Animal Model:	BALB/c nude mice (male, 5-6 weeks old) subcutaneously inoculated with NCI-H460 cells^[1]
Dosage:	5; 15 mg/kg
Administration:	i.p.; every 2 days; 4 weeks
Result:	Significantly and dose-dependently inhibited NCI-H460 xenograft tumor growth. Showed no significant changes in body weight. Exhibited no abnormal histology in liver or kidney tissues via H&E staining. Increased tumor cell apoptosis. Down-regulated GPX4 expression in tumor tissues compared to controls.

Molecular Weight

411.34

Formula

C₂₁H₁₅F₆NO

CAS No.

2369030-41-9

Appearance

Solid

Color

Light yellow to yellow

SMILES

O=C1/C(CNC/C1=C\C2=CC(C(F)(F)F)=CC=C2)=C/C3=CC=CC(C(F)(F)F)=C3

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

In Vitro:

DMSO : 33.33 mg/mL (81.03 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	2.4311 mL	12.1554 mL	24.3108 mL
5 mM	0.4862 mL	2.4311 mL	4.8622 mL
10 mM	0.2431 mL	1.2155 mL	2.4311 mL

View the 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.

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Purity & Documentation

Purity: 99.11%

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Data Sheet (275 KB) SDS (393 KB)

COA (243 KB) HNMR (250 KB) RP-HPLC (249 KB) MS (69 KB)

Handling Instructions (2659 KB)

References

[1]. Liu X, et al. Tumor killing by a dietary curcumin mono-carbonyl analog that works as a selective ROS generator via TrxR inhibition. Eur J Med Chem. 2023 Mar 15;250:115191. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	2.4311 mL	12.1554 mL	24.3108 mL	60.7770 mL
	5 mM	0.4862 mL	2.4311 mL	4.8622 mL	12.1554 mL
	10 mM	0.2431 mL	1.2155 mL	2.4311 mL	6.0777 mL
	15 mM	0.1621 mL	0.8104 mL	1.6207 mL	4.0518 mL
	20 mM	0.1216 mL	0.6078 mL	1.2155 mL	3.0388 mL
	25 mM	0.0972 mL	0.4862 mL	0.9724 mL	2.4311 mL
	30 mM	0.0810 mL	0.4052 mL	0.8104 mL	2.0259 mL
	40 mM	0.0608 mL	0.3039 mL	0.6078 mL	1.5194 mL
	50 mM	0.0486 mL	0.2431 mL	0.4862 mL	1.2155 mL
	60 mM	0.0405 mL	0.2026 mL	0.4052 mL	1.0129 mL
	80 mM	0.0304 mL	0.1519 mL	0.3039 mL	0.7597 mL