| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 50mg | |||
| 100mg | |||
| Other Sizes |
| Targets |
ALDH3A1-IN-1 targets aldehyde dehydrogenase 3 family member A1 (ALDH3A1), an enzyme that catalyzes the oxidation of aldehydes to carboxylic acids. ALDH3A1 is involved in the detoxification of lipid peroxidation-derived aldehydes and is upregulated in various cancers, contributing to cancer cell survival, proliferation, and drug resistance. By inhibiting ALDH3A1, the compound may sensitize cancer cells to chemotherapy and reduce tumor growth.
|
|---|---|
| ln Vitro |
In vitro, ALDH3A1-IN-1 is an inhibitor of ALDH3A1. It shows inhibitory activity against the enzyme, with potential applications in cancer research. However, specific IC50 values and detailed in vitro activity data are not extensively reported in the available literature. The compound is used as a research tool for studying the role of ALDH3A1 in cancer biology.
|
| ln Vivo |
In vivo, ALDH3A1-IN-1 is expected to show efficacy in animal models of cancer by inhibiting ALDH3A1 activity and sensitizing tumors to chemotherapy. However, specific in vivo efficacy data and dosing regimens are not extensively reported in the available literature. The compound is primarily used as a research tool.
|
| Enzyme Assay |
In vitro enzyme assays for ALDH3A1-IN-1 typically involve ALDH activity assays using purified recombinant ALDH3A1 enzyme. The assay is performed in 96-well plates with assay buffer (50 mM sodium pyrophosphate pH 8.0, 1 mM NAD+, 1 mM DTT). The compound (0.001-100 μM) is incubated with the enzyme and substrate (e.g., propanal or benzaldehyde) at 37°C for 30 minutes. NADH production is measured spectrophotometrically at 340 nm. The IC50 is determined from dose-response curves.
|
| Cell Assay |
In vitro cellular assays for ALDH3A1-IN-1 use cancer cell lines expressing ALDH3A1 (e.g., lung, breast, or ovarian cancer cells). Cells are cultured in appropriate media and treated with various concentrations of the compound (0.001-10 μM) for 1-24 hours. ALDH3A1 activity is measured using ALDEFLUOR or other fluorescent substrates. Cell viability is assessed using MTT assays. Chemosensitivity is assessed by combining the compound with chemotherapeutic agents.
|
| Animal Protocol |
In vivo animal studies with ALDH3A1-IN-1 would typically use mouse xenograft models of cancer. Immunodeficient mice are implanted subcutaneously with cancer cells. When tumors reach approximately 100-200 mm3, mice are treated with the compound at doses of 1-30 mg/kg administered orally or intraperitoneally, with or without chemotherapy, for 2-4 weeks. Tumor volume is measured every 2-3 days. At study termination, tumors are harvested for analysis of ALDH3A1 activity and apoptosis markers.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of ALDH3A1-IN-1 are not extensively reported. Specific PK parameters such as oral bioavailability, half-life, and tissue distribution are not detailed. The compound is expected to be metabolized by hepatic enzymes.
|
| Toxicity/Toxicokinetics |
The toxicity profile of ALDH3A1-IN-1 is not extensively reported. As an ALDH inhibitor, potential toxicities may include effects on aldehyde detoxification in normal tissues. The compound is for research use only and not for human therapeutic use.
|
| References | |
| Additional Infomation |
ALDH3A1-IN-1 (CAS 1039855-56-5) is an inhibitor of aldehyde dehydrogenase 3 family member A1 (ALDH3A1). It is used in research on cancer, particularly in studies of ALDH-positive cancer stem cells and drug resistance. However, specific IC50 values and detailed activity data are not extensively reported. The compound is available for research purposes only.
|
| Molecular Formula |
C13H18N2O3
|
|---|---|
| Molecular Weight |
250.29
|
| Exact Mass |
250.131
|
| CAS # |
1039855-56-5
|
| PubChem CID |
28951450
|
| Appearance |
Yellow to orange solid powder
|
| LogP |
3.2
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
18
|
| Complexity |
272
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
N(CCC)(C1C=CC(C=O)=CC=1N(=O)=O)CCC
|
| InChi Key |
KXSYGLGCBFMYGY-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C13H18N2O3/c1-3-7-14(8-4-2)12-6-5-11(10-16)9-13(12)15(17)18/h5-6,9-10H,3-4,7-8H2,1-2H3
|
| Chemical Name |
4-(dipropylamino)-3-nitrobenzaldehyde
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~399.54 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.99 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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 (9.99 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.9954 mL | 19.9768 mL | 39.9537 mL | |
| 5 mM | 0.7991 mL | 3.9954 mL | 7.9907 mL | |
| 10 mM | 0.3995 mL | 1.9977 mL | 3.9954 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
