| Size | Price | Stock | Qty |
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| Targets |
HET0016 targets cytochrome P450 (CYP450) ω-hydroxylases, specifically inhibiting CYP4A isoforms including CYP4A1, CYP4A2, and CYP4A3. It acts as a selective inhibitor of 20-HETE synthase, blocking the production of 20-HETE. By inhibiting the PI3K/AKT pathway, HET0016 reduces metalloproteinase levels in the lungs.
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| ln Vitro |
HET0016 inhibits CYP4A in a selective, non-competitive, and irreversible manner [1]. Breast cancer metastatic cells are less likely to migrate and invade when exposed to HET0016 (100 μM) for 24 or 48 hours [2].
In vitro, HET0016 inhibits CYP4A in a selective, non-competitive, and irreversible manner. Breast cancer metastatic cells are less likely to migrate and invade when exposed to HET0016 (100 μM) for 24 or 48 hours. The compound shows potent inhibition of 20-HETE synthase with IC50 values in the nanomolar range. |
| ln Vivo |
In an immunocompetent mouse model of breast cancer, HET0016 (10 mg/kg/day; intravenously; for 3 weeks) decreases tumor volume and lung metastases [2]. By inhibiting the PI3K/AKT pathway, HET0016 lowers the amounts of metalloproteinases in the lungs of mice [2]. In the lung microenvironment, HET0016 decreases the expression of growth factors, pro-inflammatory factors, and granulocyte MDSC populations [2]. By controlling the expression of tight junction proteins and MMP-9, HET0016 prevents BBB dysfunction following I/R [3].
In vivo, HET0016 (10 mg/kg/day; intravenously; for 3 weeks) decreases tumor volume and lung metastases in an immunocompetent mouse model of breast cancer. By inhibiting the PI3K/AKT pathway, HET0016 lowers metalloproteinase levels in the lungs. It also decreases the expression of growth factors, pro-inflammatory factors, and granulocyte MDSC populations in the lung microenvironment. |
| Enzyme Assay |
In vitro enzyme assays for HET0016 involve measuring its inhibition of 20-HETE synthase activity. Recombinant CYP4A enzymes are incubated with increasing concentrations of the compound, arachidonic acid, and NADPH in assay buffer. 20-HETE production is measured by LC-MS or radioimmunoassay. IC50 values are calculated from dose-response curves. The compound's selectivity for CYP4A isoforms over other CYP450 enzymes is assessed using a panel of recombinant enzymes.
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| Cell Assay |
Cell proliferation assay[2]
Cell Types: MDA-MB-231 Cell Tested Concentrations: 100 μM Incubation Duration: 24 hrs (hours), 48 hrs (hours) Experimental Results: diminished migration and invasion of breast cancer metastatic cells For in vitro cell-based assays, cancer cell lines (e.g., MDA-MB-231 breast cancer cells) are cultured and treated with HET0016 at concentrations such as 100 μM for 24 or 48 hours. Cell migration and invasion are assessed using Transwell chamber assays. Cell proliferation is measured by MTT or CellTiter-Glo assays. The compound's effects on the PI3K/AKT pathway are analyzed by Western blot. |
| Animal Protocol |
Animal/Disease Models: 4-5 weeks female balb/c (Bagg ALBino) mouse (16-18 g) [2]
Doses: 10 mg/kg/day Route of Administration: intravenous (iv) (iv)injection; 5 days per week; for 3 weeks; from tumor implantation Results started on day 15: reduction in tumor volume and lung metastases. In vivo animal studies with HET0016 are conducted in mouse models of cancer. Female BALB/c mice (16-18 g) are implanted with tumor cells. HET0016 is administered intravenously at 10 mg/kg/day, 5 days per week, for 3 weeks. Tumor volume and lung metastases are measured. The compound's effects on the tumor microenvironment are assessed by analyzing growth factors, inflammatory factors, and immune cell populations. |
| ADME/Pharmacokinetics |
HET0016 (CAS: 339068-25-6) has a molecular weight of 206.28 g/mol and a molecular formula of C12H18N2O. It is also known as N'-(4-butyl-2-methylphenyl)-N-hydroxymethanimidamide. Storage: powder at -20°C. Solubility: DMSO. Purity: ≥98%. The compound is a selective CYP450 inhibitor with anti-angiogenic and anti-tumor properties.
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| Toxicity/Toxicokinetics |
HET0016 is a research compound and is not approved for human therapeutic use. In preclinical studies, it has shown a manageable safety profile at doses used for efficacy studies. As a CYP450 inhibitor, it may have effects on drug metabolism and endogenous arachidonic acid pathways. Standard laboratory safety precautions should be followed when handling the compound.
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| References |
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| Additional Infomation |
HET0016 is a member of the toluene class of compounds.
HET0016 is a highly efficient and selective 20-HETE synthase inhibitor with IC50 values of 17.7 nM, 12.1 nM, and 20.6 nM for CYP4A1, CYP4A2, and CYP4A3, respectively. It is a selective CYP450 inhibitor that inhibits angiogenesis and tumor growth. The compound is also known as HET-0016 and has the CAS number 339068-25-6. It is not FDA-approved and is intended for research use only. |
| Molecular Formula |
C₁₂H₁₈N₂O
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|---|---|
| Molecular Weight |
206.28
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| Exact Mass |
206.141
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| CAS # |
339068-25-6
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| PubChem CID |
2727594
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| Appearance |
White to off-white solid powder
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
356.9±52.0 °C at 760 mmHg
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| Flash Point |
169.7±30.7 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.524
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| LogP |
4.13
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
15
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| Complexity |
194
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
LYNOGBKNFIHKLE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H18N2O/c1-3-4-5-11-6-7-12(10(2)8-11)13-9-14-15/h6-9,15H,3-5H2,1-2H3,(H,13,14)
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| Chemical Name |
N'-(4-butyl-2-methylphenyl)-N-hydroxymethanimidamide
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| Synonyms |
HET0016; HET-0016
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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) |
DCM : 12.5 mg/mL (~60.60 mM)
DMSO : ~5 mg/mL (~24.24 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2 mg/mL (9.70 mM) in 20% HP-β-CD in Saline (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O 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 | 4.8478 mL | 24.2389 mL | 48.4778 mL | |
| 5 mM | 0.9696 mL | 4.8478 mL | 9.6956 mL | |
| 10 mM | 0.4848 mL | 2.4239 mL | 4.8478 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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