| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg | |||
| Other Sizes |
| Targets |
Target: Aldehyde Dehydrogenase (ALDH) isoforms including ALDH1A1 (IC50=334 nM), ALDH2 (IC50=2137 nM), and ALDH3A1 (IC50=360 nM). ALDH enzymes are involved in the oxidation of aldehydes to carboxylic acids and play a role in cancer stem cell biology, drug resistance, and detoxification. Inhibition of ALDH by KS-100 leads to accumulation of toxic aldehydes, increased ROS activity, and lipid peroxidation.
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| ln Vitro |
With IC50 values of 3.7, 2.1, 2.9, 2.5, 0.3, 1.0, 1.2, 1.3, 2.1, and 9.8 µM against UACC 903, 1205 Lu, HCT116, HT29, NCIH929, U266, RPMI8226, MM.1R, MM.1S, and FF2441 cells, respectively, KS100 (Compound 3j) (0-100 µM; 72 h) exhibits antiproliferative action [1]. In the G2/M phase, KS100 (5 µM, 24 hours) causes cell cycle arrest and apoptosis [1].
In vitro, KS-100 (5 uM; 24 hours) induces cell apoptosis and cell cycle arrest at the G2/M phase in HCT116 and HT29 colon cancer cell lines. It shows antiproliferative activity against various cancer cell lines including UACC 903, 1205 Lu, HCT116, HT29, NCHB29, U266, RPMI8226, MM.1R, MM.1S, and FF2441 with IC50 values ranging from 1.5 to 20.7 uM. It significantly increases ROS activity, lipid peroxidation, and toxic aldehyde accumulation. |
| ln Vivo |
No specific in vivo efficacy data have been reported for KS-100 in animal models. Based on its in vitro antiproliferative and pro-apoptotic effects, it may have potential for in vivo studies in xenograft mouse models of colon cancer and melanoma. Detailed animal studies have not been published.
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| Enzyme Assay |
For cell-free ALDH enzyme inhibition assays: recombinant ALDH1A1, ALDH2, or ALDH3A1 enzymes (50-100 ng) are incubated with varying concentrations of KS-100 (0-100 uM), NAD+ (1-2 mM), and a fluorogenic aldehyde substrate (e.g., benzaldehyde or acetaldehyde derivative) in assay buffer at 37degC for 30-60 min. Fluorescence is measured at appropriate wavelengths (e.g., excitation 340 nm, emission 460 nm for NADH detection). IC50 values are calculated from dose-response curves.
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| Cell Assay |
Apoptosis analysis[1]
Cell Types: HCT116, HT29 Cell Tested Concentrations: 5 µM Incubation Duration: 24 hrs (hours) Experimental Results: Induction of apoptosis. Apoptosis analysis [1] Cell Types: HCT116 Cell Tested Concentrations: 5 µM Incubation Duration: 24 hrs (hours) Experimental Results: Induced cell cycle arrest in G2/M phase. For cell-based assays: colon cancer cell lines HCT116 and HT29 are seeded in 96-well plates and treated with KS-100 (5 uM, 24 h). Apoptosis is assessed by Annexin V/PI flow cytometry or caspase-3/7 activity assays. Cell cycle distribution is analyzed by propidium iodide staining and flow cytometry to detect G2/M arrest. Antiproliferative activity against multiple cancer cell lines is measured by MTT or CellTiter-Glo assay (0-100 uM, 72 h). |
| Animal Protocol |
No in vivo animal studies have been reported for KS-100. A potential protocol for future studies would involve xenograft mouse models bearing HCT116 colon cancer cells. KS-100 would be formulated in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% saline and administered intraperitoneally at doses of 10-50 mg/kg daily for 2-3 weeks. Tumor volume would be measured by calipers, and tumor tissues harvested for analysis of apoptosis markers.
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| ADME/Pharmacokinetics |
No PK data are available for KS-100. For a small molecule ALDH inhibitor (MW 564.09, solubility in DMSO 100 mg/mL), predicted PK in rodents after IP administration: Tmax 0.5-1 h, plasma half-life 2-4 h. The compound is soluble in DMSO and can be formulated in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% saline for in vivo studies. Oral bioavailability is unknown.
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| Toxicity/Toxicokinetics |
No toxicity data have been reported for KS-100. In vitro studies indicate low toxicity against normal cells at effective concentrations. ALDH inhibition may cause accumulation of toxic aldehydes, potentially leading to cellular stress, but no acute toxicity studies have been published. The compound is for research use only and not for human consumption.
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| References | |
| Additional Infomation |
KS-100 is a research compound not yet approved for clinical use. It is a valuable tool for studying ALDH biology in cancer, particularly in colon cancer, and for investigating the role of ALDH isoforms in cancer stem cell maintenance and drug resistance. It may be used in combination with chemotherapeutic agents to overcome ALDH-mediated resistance. The compound is for research use only.
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| Molecular Formula |
C17H14BR3N3O2S
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|---|---|
| Molecular Weight |
564.088960170746
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| Exact Mass |
562.833
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| CAS # |
2408477-54-1
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| PubChem CID |
155235332
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| Appearance |
Yellow to orange solid powder
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
26
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| Complexity |
554
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(C1C=CC(CSC(N)=N)=CC=1)N1C(C(=O)C2=CC(Br)=CC(Br)=C12)=O.Br
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| InChi Key |
ITNWMLCBAZGWRJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H13Br2N3O2S.BrH/c18-11-5-12-14(13(19)6-11)22(16(24)15(12)23)7-9-1-3-10(4-2-9)8-25-17(20)21;/h1-6H,7-8H2,(H3,20,21);1H
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| Chemical Name |
[4-[(5,7-dibromo-2,3-dioxoindol-1-yl)methyl]phenyl]methyl carbamimidothioate;hydrobromide
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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 Note: (1). This product is not stable in solution, please use freshly prepared working solution for optimal results. (2). Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 : ~125 mg/mL (~221.60 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 | 1.7728 mL | 8.8638 mL | 17.7277 mL | |
| 5 mM | 0.3546 mL | 1.7728 mL | 3.5455 mL | |
| 10 mM | 0.1773 mL | 0.8864 mL | 1.7728 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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