| 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 |
ALDH1A3-IN-2 selectively targets Aldehyde Dehydrogenase 1A3 (ALDH1A3), an enzyme involved in the oxidation of aldehydes to carboxylic acids. ALDH1A3 is a marker of cancer stem cells and is associated with chemoresistance and poor prognosis.
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|---|---|
| ln Vitro |
ALDH1A3-IN-2 is a potent inhibitor of ALDH1A3 with an IC50 of 0.30 microM. By inhibiting this enzyme, the compound reduces cancer stem cell populations, sensitizes tumors to chemotherapy, and prevents relapse. It demonstrates antiproliferative effects on various cancer cell lines.
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| ln Vivo |
Dedicated in vivo efficacy studies for ALDH1A3-IN-2 are not extensively documented in standard profiles. However, as an inhibitor of a cancer stem cell marker, it has been investigated for the treatment of various cancers, including glioblastoma and other aggressive malignancies.
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| Enzyme Assay |
The enzymatic activity of recombinant ALDH1A3 is measured using a fluorogenic substrate (e.g., Aldehyde Reductase Substrate). The conversion to a fluorescent product is monitored over time. The IC50 value of ALDH1A3-IN-2 is calculated from the concentration-dependent inhibition curve.
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| Cell Assay |
Cancer cell lines expressing high levels of ALDH1A3 (e.g., certain glioblastoma or prostate cancer lines) are cultured and treated with varying concentrations of ALDH1A3-IN-2. The ALDEFLUOR assay (an Aldehyde Dehydrogenase activity assay using flow cytometry) is used to measure enzymatic activity in live cells. Cell viability is assessed via MTT.
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| Animal Protocol |
In vivo protocols would typically involve establishing orthotopic or subcutaneous xenografts of ALDH1A3-positive tumors in immunodeficient mice. ALDH1A3-IN-2 would be administered via intraperitoneal injection. Tumor growth is monitored, and ALDH1A3 activity in tumor tissues is assessed.
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| ADME/Pharmacokinetics |
Detailed PK parameters for ALDH1A3-IN-2 are not extensively documented. As a research compound with an IC50 in the sub-micromolar range, its solubility and permeability properties are suitable for initial in vivo studies, but comprehensive ADME data is not publicly reported.
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| Toxicity/Toxicokinetics |
Toxicological data for ALDH1A3-IN-2 is not available in standard profiles. As a research compound targeting a metabolic enzyme in cancer stem cells, comprehensive toxicology studies would be needed for preclinical development. Standard lab safety precautions apply.
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| References | |
| Additional Infomation |
ALDH1A3-IN-2 is a research tool for studying the role of ALDH1A3 in cancer stem cell biology and chemoresistance. Its ability to sensitize tumors to chemotherapy makes it a potential combination therapy candidate. The compound is not an approved drug.
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| Molecular Formula |
C13H17NO
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|---|---|
| Molecular Weight |
203.280183553696
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| Exact Mass |
203.131
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| CAS # |
886502-08-5
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| PubChem CID |
7148635
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| Appearance |
Colorless to off-white solid-liquid Mixture
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| LogP |
2.7
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
15
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| Complexity |
211
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=CC1=CC(C)=C(C=C1)N2CCCCC2
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| InChi Key |
PFELXGCZCNQNEM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H17NO/c1-11-9-12(10-15)5-6-13(11)14-7-3-2-4-8-14/h5-6,9-10H,2-4,7-8H2,1H3
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| Chemical Name |
3-methyl-4-piperidin-1-ylbenzaldehyde
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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: ~100 mg/mL (~491.9 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.30 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (12.30 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (12.30 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.9193 mL | 24.5966 mL | 49.1932 mL | |
| 5 mM | 0.9839 mL | 4.9193 mL | 9.8386 mL | |
| 10 mM | 0.4919 mL | 2.4597 mL | 4.9193 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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