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| 1mg |
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| 5mg |
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| Targets |
NSC 689534 targets cellular redox homeostasis by chelating copper ions (Cu²⁺). The NSC 689534/Cu²⁺ complex acts as a potent inducer of oxidative stress, leading to the depletion of glutathione (GSH) and the generation of reactive oxygen species (ROS). This oxidative stress induction results in antitumor activity through the induction of apoptosis and inhibition of tumor cell proliferation. The compound's mechanism is dependent on copper availability.
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| ln Vitro |
NSC 689534/Cu2+ complex (48 h) inhibited cell viability of HL60 and PC3 cells with IC50s of 0.2 and 0.4 μM, respectively, which was approximately 4-fold more potent than NSC 689534 alone [1]. NSC 689534/Cu2+ complex (2.5 μM, 24 h) induced oxidative stress and depleted GSH in PC3 cells, whereas NSC 689534 alone had no effect [1]. NSC 689534/Cu2+ complex (2.5 μM, 24 h) induced macroautophagy (through accumulation of LC3 into macroautophagosomes) and ER stress response (upregulation of GRP78 and CHOP) in PC3 cells [1].
In vitro, NSC 689534 alone shows moderate activity, but the NSC 689534/Cu²⁺ complex exhibits significantly enhanced potency. The complex demonstrates potent inhibitory effects on HL60 and PC3 cells with IC50 values of 0.2 μM and 0.4 μM, respectively, at 48 hours——approximately four times more potent than NSC 689534 alone. At 2.5 μM concentration after 24 hours of treatment, the complex significantly induces oxidative stress and depletes GSH in PC3 cells, an effect not observed with NSC 689534 alone. |
| ln Vivo |
NSC 689534/Cu2+ complex (3 mg/kg, intraperitoneally, once or twice a day for 5 days) inhibited tumor growth in the HL60 xenograft model, whereas NSC 689534 alone did not show statistically significant effects [1].
In vivo, NSC 689534/Cu²⁺ complex has demonstrated antitumor activity in preclinical models. By inducing oxidative stress and depleting glutathione, the complex promotes tumor cell death and inhibits tumor growth. The compound's activity is dependent on the formation of the copper chelate, suggesting that copper availability in the tumor microenvironment may influence efficacy. Detailed in vivo efficacy data are described in the primary literature. |
| Enzyme Assay |
Non-cellular binding assays for NSC 689534 involve studying its interaction with copper ions using spectroscopic techniques such as UV-Vis spectroscopy, fluorescence spectroscopy, or electron paramagnetic resonance (EPR). The formation of the NSC 689534/Cu²⁺ complex can be confirmed by changes in absorption spectra or by mass spectrometry. The stoichiometry of the complex and its stability constants can be determined using titration experiments and analyzed using appropriate binding models.
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| Cell Assay |
In vitro cellular experiments with NSC 689534 are conducted in cancer cell lines such as HL60 (leukemia) and PC3 (prostate cancer). Cells are treated with the compound alone or in combination with copper supplementation to assess the formation of the active NSC 689534/Cu²⁺ complex. Cellular oxidative stress is measured using ROS-sensitive fluorescent probes (e.g., DCFH-DA). Glutathione levels are quantified using biochemical assays. Cell viability and apoptosis are assessed using standard assays such as MTT and Annexin V staining.
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| Animal Protocol |
In vivo animal studies for NSC 689534 are performed in murine xenograft models using cancer cell lines sensitive to oxidative stress induction. Tumor-bearing mice are treated with the compound, often in combination with copper supplementation to enhance the formation of the active complex. Tumor growth is monitored, and endpoints include tumor volume measurements, survival analysis, and assessment of oxidative stress markers in tumor tissues. Efficacy is compared to vehicle controls.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of NSC 689534 include a molecular weight of 362.45 and a molecular formula of C19H18N6S. The CAS number is 907958-80-9. Purity is typically ≥95%. The compound is classified as an apoptosis-related compound. Detailed pharmacokinetic parameters such as absorption, distribution, metabolism, and excretion (ADME) would be determined during preclinical development. The compound should be stored according to the supplier's recommendations.
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| Toxicity/Toxicokinetics |
Toxicity data for NSC 689534 are generated during preclinical development. As an inducer of oxidative stress, potential toxicities may include effects on normal tissues with high metabolic activity and limited antioxidant capacity. Comprehensive toxicology studies would assess safety margins and identify target organ toxicities. Researchers should consult the safety data sheet and handle the compound with appropriate laboratory safety precautions for research use only.
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| References |
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| Additional Infomation |
NSC 689534 is a research compound identified through screening programs for anticancer activity. It forms a copper chelate with Cu²⁺, and the complex is a potent oxidative stress inducer with antitumor activity. The compound is for research use only and not for human therapeutic applications. Detailed protocols and references are available from the supplier's documentation.
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| Molecular Formula |
C19H18N6S
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| Molecular Weight |
362.451421260834
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| Exact Mass |
362.131
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| CAS # |
907958-80-9
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| PubChem CID |
5469528
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
2
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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 |
6
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| Heavy Atom Count |
26
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| Complexity |
437
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=NC(=C1)CN(CC2=CC=CC=N2)C(=S)N/N=C/C3=CC=CC=N3
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| InChi Key |
AEEZWHXVVXFVAD-YDZHTSKRSA-N
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| InChi Code |
InChI=1S/C19H18N6S/c26-19(24-23-13-16-7-1-4-10-20-16)25(14-17-8-2-5-11-21-17)15-18-9-3-6-12-22-18/h1-13H,14-15H2,(H,24,26)/b23-13+
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| Chemical Name |
1,1-bis(pyridin-2-ylmethyl)-3-[(E)-pyridin-2-ylmethylideneamino]thiourea
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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) |
Typically soluble in DMSO (e.g. 10 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.7590 mL | 13.7950 mL | 27.5900 mL | |
| 5 mM | 0.5518 mL | 2.7590 mL | 5.5180 mL | |
| 10 mM | 0.2759 mL | 1.3795 mL | 2.7590 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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