QD-394
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MedKoo CAT#: 464560

CAS#: 2132411-21-1

Description: QD-394 is an inducer of reactive oxygen species (ROS) production. It induces lipid peroxidation, increases in intracellular accumulation of reactive oxygen species (ROS), and decreases in the reduced glutathione (GSH) to oxidized GSH (GSSG) ratio in MIA PaCa-2 pancreatic cancer cells when used at concentrations ranging from 0.5 to 10 µM. QD-394 is cytotoxic to MIA PaCa-2, PANC-1, and BxPC-3 cancer cells (IC50s = 0.64, 0.34, and 0.9 µM, respectively). QD-394 acts synergistically with napabucasin to reduce colony formation in MIA PaCa-2 cells.

Chemical Structure

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QD-394
CAS# 2132411-21-1
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 464560
Name: QD-394
CAS#: 2132411-21-1
Chemical Formula: C19H19N5O2
Exact Mass: 349.15
Molecular Weight: 349.394
Elemental Analysis: C, 65.32; H, 5.48; N, 20.04; O, 9.16

Price and Availability

Size Price Availability Quantity
50mg USD -2 2 Weeks
100mg USD -2 2 Weeks
200mg USD -2 2 Weeks
500mg USD -2 2 Weeks
2g USD -2 2 Weeks
1mg USD 220 2 Weeks
5mg USD 480 2 Weeks
10mg USD 800 2 Weeks
25mg USD 1380 2 Weeks
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Synonym: QD-394; QD394 QD 394;

IUPAC/Chemical Name: 6-((4-(4-methylpiperazin-1-yl)phenyl)amino)quinazoline-5,8-dione

InChi Key: INZGOHBCPALCGM-UHFFFAOYSA-N

InChi Code: InChI=1S/C19H19N5O2/c1-23-6-8-24(9-7-23)14-4-2-13(3-5-14)22-16-10-17(25)18-15(19(16)26)11-20-12-21-18/h2-5,10-12,22H,6-9H2,1H3

SMILES Code: O=C1C=C(NC2=CC=C(C=C2)N3CCN(C)CC3)C(C4=CN=CN=C14)=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Product Data:
Product Data
Instruction:
View handling instruction
Biological target: QD394 is a reactive oxygen species inducer that can induce lipid peroxidation, increase intracellular ROS accumulation, inhibit STAT3 phosphorylation, and induce ferroptosis.
In vitro activity: QD394 shows a transcriptomic profile remarkably similar to napabucasin, a cancer stemness inhibitor. Both small molecules inhibit STAT3 phosphorylation, increase cellular ROS, and decrease the GSH/GSSG ratio. QD394 causes an iron- and ROS-dependent, GPX4 mediated cell death, suggesting ferroptosis as a major mechanism. QD394 decreases the expression of LRPPRC and PNPT1 proteins.
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMF 1.0 2.86
DMSO 5.0 14.31
DMSO:PBS (pH 7.2) (1:20) 0.0 0.11
Ethanol 1.0 2.86

Preparing Stock Solutions

The following data is based on the product molecular weight 349.39 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: Hu S, Sechi M, Singh PK, Dai L, McCann S, Sun D, Ljungman M, Neamati N. A Novel Redox Modulator Induces a GPX4- Mediated Cell Death That Is Dependent on Iron and Reactive Oxygen Species. J Med Chem. 2020 Sep 10;63(17):9838-9855. doi: 10.1021/acs.jmedchem.0c01016. Epub 2020 Aug 28. PMID: 32809827; PMCID: PMC8082945
In vitro protocol: Hu S, Sechi M, Singh PK, Dai L, McCann S, Sun D, Ljungman M, Neamati N. A Novel Redox Modulator Induces a GPX4- Mediated Cell Death That Is Dependent on Iron and Reactive Oxygen Species. J Med Chem. 2020 Sep 10;63(17):9838-9855. doi: 10.1021/acs.jmedchem.0c01016. Epub 2020 Aug 28. PMID: 32809827; PMCID: PMC8082945
In vivo protocol: TBD

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1: Hu S, Sechi M, Singh PK, Dai L, McCann S, Sun D, Ljungman M, Neamati N. A Novel Redox Modulator Induces a GPX4-Mediated Cell Death That Is Dependent on Iron and Reactive Oxygen Species. J Med Chem. 2020 Sep 10;63(17):9838-9855. doi: 10.1021/acs.jmedchem.0c01016. Epub 2020 Aug 28. PMID: 32809827.