| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| Other Sizes |
| Targets |
IC50: 6 μM (H-PGDS)[1] Kd: 0.8 μM (H-PGDS)[1]
HQL-79 selectively targets hematopoietic prostaglandin D synthase (H-PGDS), inhibiting the synthesis of PGD2. It shows no activity against COX-1, COX-2, m-PGES, or L-PGDS, demonstrating its high selectivity. H-PGDS is primarily expressed in mast cells, macrophages, and Th2 cells, where it catalyzes the conversion of PGH2 to PGD2. |
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| ln Vitro |
HQL-79 is a non-competitive inhibitor of GSH and a competitive inhibitor of the substrate PGH2 [1].
In vitro, HQL-79 inhibits human H-PGDS with a Kd of 0.8 μM and an IC50 of 6 μM. It demonstrates high selectivity for H-PGDS over other prostaglandin synthases. This potent and selective inhibition of PGD2 synthesis makes it a valuable tool for studying the role of PGD2 in allergic and inflammatory responses. |
| ln Vivo |
In vivo, HQL-79 displays antiasthmatic activity and potent antihistaminic properties. As an orally bioactive compound, it is effective in animal models of allergy and inflammation, where it reduces PGD2-mediated effects such as bronchoconstriction and vasodilation. Its oral bioavailability makes it suitable for in vivo studies.
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| Enzyme Assay |
The inhibition of H-PGDS by HQL-79 is assessed using an in vitro enzyme activity assay. Recombinant human H-PGDS is incubated with its substrate, PGH2, in the presence of varying concentrations of HQL-79. The production of PGD2 is measured using an enzyme immunoassay (EIA) or mass spectrometry. The IC50 value is calculated from the dose-response curve.
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| Cell Assay |
The cellular effects of HQL-79 are evaluated in cultured mast cells or macrophages stimulated to produce PGD2. Cells are treated with HQL-79 and then activated with an appropriate stimulus (e.g., IgE/antigen for mast cells). The levels of PGD2 in the culture supernatant are measured by EIA to determine the compound's inhibitory effect on cellular PGD2 production.
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| Animal Protocol |
The in vivo efficacy of HQL-79 is evaluated in animal models of allergic asthma, such as ovalbumin-sensitized mice. HQL-79 is administered orally, and airway hyperresponsiveness, inflammatory cell infiltration in the bronchoalveolar lavage fluid (BALF), and PGD2 levels are measured. The compound's ability to reduce these allergic responses is assessed.
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| ADME/Pharmacokinetics |
As an orally bioactive small molecule, HQL-79 is expected to have good oral bioavailability and a favorable pharmacokinetic profile. Its absorption, distribution, metabolism, and excretion properties are consistent with a drug-like molecule, making it suitable for oral administration in preclinical studies.
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| Toxicity/Toxicokinetics |
Based on its mechanism of inhibiting PGD2 synthesis, HQL-79 is expected to have a good safety profile. PGD2 is a mediator of allergic and inflammatory responses, and its inhibition is not associated with major toxicities. However, as with any investigational compound, full toxicological studies are required.
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| References | |
| Additional Infomation |
HQL-79 is an antiallergic and anti-inflammatory research compound that serves as a valuable tool for studying the role of H-PGDS and PGD2 in allergic diseases. Its selectivity and oral bioavailability make it a promising candidate for further development. It was originally prepared as a possible antihistamine.
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| Molecular Formula |
C22H27N5O
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|---|---|
| Molecular Weight |
377.49
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| Exact Mass |
377.221
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| CAS # |
162641-16-9
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| PubChem CID |
6540277
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
553.6±60.0 °C at 760 mmHg
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| Flash Point |
288.6±32.9 °C
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| Vapour Pressure |
0.0±1.5 mmHg at 25°C
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| Index of Refraction |
1.619
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| LogP |
3.94
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
28
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| Complexity |
413
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
TZQGXAHOROZEKN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H27N5O/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)28-20-13-16-27(17-14-20)15-7-12-21-23-25-26-24-21/h1-6,8-11,20,22H,7,12-17H2,(H,23,24,25,26)
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| Chemical Name |
4-benzhydryloxy-1-[3-(2H-tetrazol-5-yl)propyl]piperidine
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| Synonyms |
HQL79 HQL 79 HQL-79
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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 : ~2 mg/mL (~5.30 mM)
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.6491 mL | 13.2454 mL | 26.4908 mL | |
| 5 mM | 0.5298 mL | 2.6491 mL | 5.2982 mL | |
| 10 mM | 0.2649 mL | 1.3245 mL | 2.6491 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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