| 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 |
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| Other Sizes |
| Targets |
Hepln-13 targets Hepsin, a serine protease that plays a critical role in the degradation of the extracellular matrix, a key step in cancer cell invasion and metastasis. By inhibiting Hepsin, Hepln-13 aims to disrupt this proteolytic activity, thereby potentially reducing the invasive and metastatic potential of cancer cells. It is a potent and orally active inhibitor, making it a promising tool for in vivo studies.
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| ln Vitro |
Lysis is inhibited by Hepln-13 (10 µM; 2 hours; 293 cells) [1].
Hepln-13 demonstrates potent in vitro activity by inhibiting Hepsin with an IC50 of 0.33 μM. This activity is confirmed in enzymatic assays using purified Hepsin, where the compound effectively blocks the protease's ability to cleave its substrates. The compound's high potency and specificity make it a valuable tool for studying the role of Hepsin in cancer biology. |
| ln Vivo |
HepIn-13 can prevent prostate cancer metastasis and has a dose-dependent inhibitory effect on phenotypes of prostate cancer linked to Hepsin overexpression [1].
Hepln-13 is an orally active compound, indicating it has suitable pharmacokinetic properties for in vivo administration. It is used in research models of metastatic prostate cancer to evaluate its efficacy in inhibiting tumor growth and metastasis. By inhibiting Hepsin, Hepln-13 is expected to reduce the invasive capacity of cancer cells, thereby slowing disease progression. |
| Enzyme Assay |
The primary in vitro assay for Hepln-13 is a protease activity assay using purified recombinant Hepsin. The enzyme is incubated with a fluorogenic or chromogenic peptide substrate in the presence of varying concentrations of the compound. The cleavage of the substrate is monitored, and the IC50 value of 0.33 μM is determined from the dose-response curve.
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| Cell Assay |
Western Blot Analysis[1]
Cell Types: 293 cells Tested Concentrations: 10 µM Incubation Duration: 2 hrs (hours) Experimental Results: Lysis was inhibited. In vitro cellular experiments for Hepln-13 involve treating prostate cancer cell lines that express Hepsin with the compound. The inhibition of Hepsin activity is assessed by measuring the degradation of its substrates or by using specific activity assays. The compound's effects on cell invasion, migration, and proliferation are evaluated using transwell assays, wound-healing assays, and cell viability assays, respectively. |
| Animal Protocol |
In vivo efficacy of Hepln-13 is assessed in animal models of metastatic prostate cancer, such as orthotopic or xenograft models. The compound is administered orally, and its effects on tumor growth, metastasis, and survival are monitored. Pharmacodynamic markers, such as the inhibition of Hepsin activity in tumor tissue, are also assessed to confirm target engagement.
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| ADME/Pharmacokinetics |
Hepln-13 has a molecular weight of 325.20 g/mol and a molecular formula of C17H13BrN2. It is an orally active compound, suggesting it is well-absorbed from the gastrointestinal tract. It is soluble in DMSO at 62.5 mg/mL and is typically stored at 4°C. Detailed pharmacokinetic parameters are not publicly available.
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| Toxicity/Toxicokinetics |
Comprehensive toxicological data for Hepln-13 is limited, as it is a research compound. Its safety profile would need to be established through preclinical studies if it were to be developed for therapeutic applications. As with all research chemicals, standard safety precautions should be observed when handling this compound.
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| References | |
| Additional Infomation |
Hepln-13 is a potent and orally active Hepsin inhibitor used in cancer research. Its primary application is in the study of metastatic prostate cancer, where Hepsin overexpression is a hallmark. The compound serves as a valuable tool for investigating the role of Hepsin in tumor progression and for validating Hepsin as a therapeutic target.
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| Molecular Formula |
C17H13BRN2
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|---|---|
| Molecular Weight |
325.2
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| Exact Mass |
324.026
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| CAS # |
64369-13-7
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| PubChem CID |
256658
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| Appearance |
Pale purple to purple solid powder
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| Density |
1.444g/cm3
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| Boiling Point |
533.3ºC at 760 mmHg
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| Flash Point |
276.4ºC
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| Index of Refraction |
1.688
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| LogP |
5.414
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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 |
1
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| Heavy Atom Count |
20
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| Complexity |
320
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| Defined Atom Stereocenter Count |
0
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| SMILES |
BrC1=CC=C(C2NC3=CC=CC4C=CC=C(C3=4)N2)C=C1
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| InChi Key |
YSRRRCGJBGQBDM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H13BrN2/c18-13-9-7-12(8-10-13)17-19-14-5-1-3-11-4-2-6-15(20-17)16(11)14/h1-10,17,19-20H
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| Chemical Name |
2-(4-bromophenyl)-2,3-dihydro-1H-perimidine
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| Synonyms |
Hepln13 Hepln 13 Hepln-13
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 : ~62.5 mg/mL (~192.19 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.40 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 20.8 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.0750 mL | 15.3752 mL | 30.7503 mL | |
| 5 mM | 0.6150 mL | 3.0750 mL | 6.1501 mL | |
| 10 mM | 0.3075 mL | 1.5375 mL | 3.0750 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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