| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
FSI-TN42 targets aldehyde dehydrogenase 1A1 (ALDH1A1), a member of the aldehyde dehydrogenase family. ALDH1A1 is a cytosolic enzyme that catalyzes the oxidation of aldehydes to their corresponding carboxylic acids. It plays a critical role in the metabolism of retinoic acid, a key regulator of gene expression, and is involved in the detoxification of aldehydes. ALDH1A1 is also a well-established marker for cancer stem cells in various tumor types. FSI-TN42 is an irreversible inhibitor, meaning it forms a covalent bond with the enzyme, leading to permanent inactivation. The compound shows 800-fold selectivity for ALDH1A1 over ALDH1A2.
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| ln Vitro |
In vitro, FSI-TN42 is a potent and selective inhibitor of ALDH1A1, with an IC50 of 23 nM. It demonstrates 800-fold greater potency against ALDH1A1 compared to ALDH1A2. The compound's irreversible inhibition mechanism suggests that it covalently modifies the enzyme, leading to sustained inhibition. Its selectivity and potency make it a valuable tool for studying the role of ALDH1A1 in cancer stem cells, retinoic acid metabolism, and other biological processes. The compound's activity is characterized by its IC50 and selectivity profile.
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| ln Vivo |
In vivo, FSI-TN42 is orally active, making it suitable for in vivo studies. As a selective ALDH1A1 inhibitor, it would be expected to modulate ALDH1A1 activity in vivo, potentially affecting cancer stem cell populations and retinoic acid signaling. However, specific animal model studies, dosing regimens, and quantitative outcomes have not been extensively reported in the available literature. The compound's oral bioavailability and irreversible inhibition profile suggest that it may have favorable pharmacokinetic and pharmacodynamic properties for in vivo studies. Further in vivo studies would be required to characterize its efficacy, safety, and pharmacokinetic properties in various disease models.
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| Enzyme Assay |
In vitro enzyme assay protocols for FSI-TN42 typically involve measuring its inhibition of ALDH1A1 enzymatic activity. A standard protocol would involve incubating recombinant ALDH1A1 with varying concentrations of FSI-TN42 and a substrate, such as acetaldehyde or a fluorogenic aldehyde substrate (e.g., ALDEFLUOR). The reaction is monitored by measuring the production of NADH or the fluorescence signal. The IC50 value is determined from the dose-response curve. Selectivity is assessed by testing the compound against other ALDH isoforms, such as ALDH1A2.
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| Cell Assay |
In vitro cell-based assay protocols for FSI-TN42 typically involve assessing its effects on ALDH1A1 activity in cancer stem cells. A standard protocol would involve treating cancer cell lines with varying concentrations of FSI-TN42. ALDH1A1 activity is measured using the ALDEFLUOR assay, a flow cytometry-based method that uses a fluorescent substrate for ALDH. The percentage of ALDH1A1-positive cells is quantified. Cell viability and proliferation are also assessed to determine the compound's effects on cancer stem cell survival. Appropriate controls include vehicle-treated cells and cells treated with a known ALDH inhibitor.
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| Animal Protocol |
In vivo animal experimental protocols for FSI-TN42 would typically involve administering the compound orally to animal models of cancer. A hypothetical protocol would involve using mouse xenograft models of tumors that are known to be enriched in ALDH1A1-positive cancer stem cells. The compound would be administered orally at doses determined from preliminary pharmacokinetic and tolerability studies. Endpoints would include tumor growth inhibition, assessment of ALDH1A1 activity and cancer stem cell marker expression in tumor tissues, and evaluation of survival.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of FSI-TN42 indicate that the compound is orally active. It has a molecular weight of 492.44. Specific PK parameters such as half-life, Cmax, AUC, bioavailability, volume of distribution, and clearance have not been extensively reported. The compound's metabolism, protein binding, and routes of elimination remain to be characterized. Further pharmacokinetic studies would be required to understand its absorption, distribution, metabolism, and excretion profile.
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| References | |
| Additional Infomation |
FSI-TN42 is a research-grade compound that functions as a selective, orally active, and irreversible ALDH1A1 inhibitor with an IC50 of 23 nM. It is 800-fold more potent against ALDH1A1 than ALDH1A2. It is used in research on cancer stem cells and spermatogenesis. It has not entered clinical trials and is not approved for any therapeutic indication. Its mechanism of action involves covalent inhibition of ALDH1A1. The compound is available exclusively for research purposes.
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| Exact Mass |
491.185
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| CAS # |
2445840-25-3
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| PubChem CID |
166571536
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
33
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| Complexity |
665
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CN1C=CC=C1C(=O)N2CCN(CC2)C3=CC(=C(C=C3)NC(=O)C(Cl)Cl)N4CCCCCC4
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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) |
DMSO :~200 mg/mL (~406.14 mM; with sonication)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 5 mg/mL (10.15 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one),clear solution; with ultrasonication.
For example, if 1 mL of working solution is to be prepared,you can add 100 μL of 50.0 mg/mL clear DMSO stock solution and add it to 900 μL corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
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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