| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
IC50: 0.4 μM (DHODH)[1]
DHODH-IN-17 targets human dihydroorotate dehydrogenase (DHODH), a mitochondrial enzyme that catalyzes the oxidation of dihydroorotate to orotate in the de novo pyrimidine biosynthesis pathway. Inhibition of DHODH disrupts pyrimidine nucleotide synthesis, leading to cell cycle arrest and apoptosis in rapidly dividing cells. DHODH-IN-17 is a 2-anilino nicotinic acid that inhibits human DHODH with an IC50 value of 0.40 μM. By targeting DHODH, the compound affects pyrimidine metabolism and mitochondrial function, making it a valuable tool for studying metabolic vulnerabilities in cancer and autoimmune diseases. |
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| ln Vitro |
DHODH-IN-17, a human DHODH inhibitor, has an IC50 value of 0.40 μM and is a 2-anilinonic acid [1].
DHODH-IN-17 demonstrates potent in vitro inhibition of human DHODH with an IC50 value of 0.40 μM. The compound has shown strong antiproliferative effects in preclinical cancer models. As a 2-anilino nicotinic acid, DHODH-IN-17 is used in studies of acute myeloid leukemia (AML). Its inhibition of DHODH depletes pyrimidine nucleotide pools, which is particularly detrimental to rapidly proliferating cancer cells. These in vitro findings support the compound's potential as a research tool for studying DHODH-dependent metabolic pathways and developing targeted therapies involving pyrimidine metabolism. |
| ln Vivo |
In vivo activity data for DHODH-IN-17 are not extensively documented. The compound has demonstrated antiproliferative effects in preclinical cancer models, suggesting potential in vivo efficacy. Its use in acute myeloid leukemia (AML) research implies that animal models of AML may be used to evaluate its therapeutic potential. Further in vivo studies are needed to fully characterize the compound's efficacy, pharmacokinetics, and safety in animal models. DHODH-IN-17 serves as a valuable tool for exploring immunomodulatory strategies and developing targeted therapies.
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| Enzyme Assay |
The in vitro enzyme assay for DHODH-IN-17 involves measuring its inhibition of human DHODH enzymatic activity. Recombinant human DHODH is expressed and purified. Enzyme activity is assessed by spectrophotometrically monitoring the reduction of the electron acceptor, such as 2,6-dichloroindophenol (DCIP), coupled to the oxidation of dihydroorotate. DHODH-IN-17 is incubated with the enzyme and substrate at various concentrations. The IC50 value is determined by fitting the inhibition data to a dose-response curve. The assay buffer typically contains Tris-HCl, detergent, and appropriate cofactors for enzyme activity.
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| Cell Assay |
In vitro cellular assays for DHODH-IN-17 typically use cancer cell lines, particularly acute myeloid leukemia (AML) cell lines, to assess antiproliferative effects. Cells are treated with DHODH-IN-17 at various concentrations for 72 hours. Cell viability is measured using standard assays such as MTT, CellTiter-Glo, or trypan blue exclusion. The compound's ability to inhibit cell proliferation is quantified as the half-maximal inhibitory concentration (IC50). Additionally, the effects on cell cycle progression and apoptosis can be assessed by flow cytometry. These assays confirm the compound's cellular activity and support its use in cancer research.
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| Animal Protocol |
In vivo animal experiments for DHODH-IN-17 are not extensively documented. Based on its use in acute myeloid leukemia (AML) research, standard in vivo efficacy studies would involve mouse xenograft models of AML. Tumor-bearing mice would be administered DHODH-IN-17 via oral or parenteral routes. Tumor growth would be monitored, and tissues would be collected for analysis of DHODH inhibition, pyrimidine nucleotide levels, and biomarkers of cell proliferation and apoptosis. Pharmacodynamic studies could evaluate target engagement and pathway modulation.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of DHODH-IN-17 are not extensively documented. As a small-molecule DHODH inhibitor with a molecular weight of 248.67, the compound is expected to have reasonable bioavailability. Its use in preclinical cancer models suggests that it has sufficient systemic exposure to exert antiproliferative effects. Further pharmacokinetic studies, including assessments of absorption, distribution, metabolism, and excretion (ADME), are necessary to fully characterize its PK profile and support its development as a therapeutic agent for AML and other diseases.
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| Toxicity/Toxicokinetics |
Toxicological data for DHODH-IN-17 are not extensively available in the public domain. As a research compound used for preclinical studies, DHODH-IN-17 has not undergone extensive toxicological evaluation. Standard cytotoxicity assays in cancer cell lines are typically performed to assess antiproliferative effects. In animal studies, tolerability and potential adverse effects would be monitored. Further preclinical toxicology studies would be required to assess safety, determine no-observed-adverse-effect levels (NOAEL), and evaluate potential off-target effects before clinical development.
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| References | |
| Additional Infomation |
DHODH-IN-17 is a 2-anilino nicotinic acid that inhibits human DHODH with an IC50 of 0.40 μM. It has demonstrated antiproliferative effects in preclinical cancer models and is used in acute myeloid leukemia (AML) research. The compound targets pyrimidine metabolism and mitochondrial function, making it a valuable tool for studying metabolic vulnerabilities in disease. DHODH-IN-17 has a molecular weight of 248.67. No clinical trials or regulatory approvals have been reported. It is available as a research-grade compound for non-clinical use.
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| Molecular Formula |
C12H9CLN2O2
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|---|---|
| Molecular Weight |
248.67
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| Exact Mass |
248.035
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| CAS # |
16344-26-6
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| PubChem CID |
1432578
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| Appearance |
Off-white to gray solid powder
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| LogP |
3.249
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
17
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| Complexity |
267
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=C(N=C1)NC2=CC=C(C=C2)Cl)C(=O)O
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| InChi Key |
YEXIXVLEDGNAKM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H9ClN2O2/c13-8-3-5-9(6-4-8)15-11-10(12(16)17)2-1-7-14-11/h1-7H,(H,14,15)(H,16,17)
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| Chemical Name |
2-(4-chloroanilino)pyridine-3-carboxylic acid
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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: 83.33 mg/mL (335.10 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (8.36 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 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 2: ≥ 1.67 mg/mL (6.72 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 16.7 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. View More
Solubility in Formulation 3: ≥ 1.67 mg/mL (6.72 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. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.0214 mL | 20.1070 mL | 40.2139 mL | |
| 5 mM | 0.8043 mL | 4.0214 mL | 8.0428 mL | |
| 10 mM | 0.4021 mL | 2.0107 mL | 4.0214 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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