| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
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| 100mg |
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| 500mg |
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| 1g | |||
| Other Sizes |
| Targets |
HHS-0701 targets prostaglandin reductase 2 (PTGR2). It is a potent inhibitor of this enzyme, blocking the metabolism of the lipid substrate 15-Keto-PGE2. PTGR2 is involved in the metabolism of prostaglandins, which are important signaling molecules in inflammation and other physiological processes.
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|---|---|
| ln Vitro |
When recombinant PTGR2-overexpressing HEK293T cells are treated with HHS-0701 (0.1, 0.25, 0.5, 1, 2.5, 5, 10, 25 μM; 2 hours), centrally centered labeling foam is produced [1].
In vitro, HHS-0701 inhibits PTGR2 activity. It blocks PTGR2 metabolism of the lipid substrate 15-Keto-PGE2. This demonstrates its potency as a PTGR2 inhibitor and its utility as a chemical probe. |
| ln Vivo |
Specific in vivo activity data for HHS-0701 are not extensively reported. The compound is used as a chemical probe for studying PTGR2. Further studies would be required to evaluate its in vivo efficacy and pharmacokinetics.
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| Enzyme Assay |
PTGR2 activity is measured using enzyme assays with recombinant PTGR2 protein and its substrate 15-Keto-PGE2. HHS-0701 is incubated at varying concentrations, and substrate metabolism is measured.
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| Cell Assay |
Cellular activity of HHS-0701 is evaluated in PTGR2-expressing cells. Cells are treated with the compound, and 15-Keto-PGE2 metabolism is assessed. The compound serves as a cell-active inhibitor for studying PTGR2 function.
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| Animal Protocol |
Specific in vivo protocols for HHS-0701 are not detailed. In vivo studies would typically involve administration to animal models to assess PTGR2 inhibition and its effects on prostaglandin metabolism.
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| ADME/Pharmacokinetics |
HHS-0701 has a molecular formula of C20H20N4O3S and a molecular weight of 396.46. It is soluble in DMSO (100 mg/mL). The compound is stored under recommended conditions. Its SuTEx ligand properties make it a unique tool for studying PTGR2.
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| Toxicity/Toxicokinetics |
Toxicological data for HHS-0701 are limited. The compound is intended for research use only. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
HHS-0701 is a sulfur-triazole exchange (SuTEx) ligand. It is a potent inhibitor of PTGR2, blocking the metabolism of 15-Keto-PGE2. It serves as a valuable chemical probe for studying PTGR2 biology and epigenetic mechanisms and is a useful tool for inflammation research.
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| Molecular Formula |
C20H20N4O3S
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|---|---|
| Molecular Weight |
396.462802886963
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| Exact Mass |
396.13
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| Elemental Analysis |
C, 60.59; H, 5.08; N, 14.13; O, 12.11; S, 8.09
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| CAS # |
2851993-91-2
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| PubChem CID |
155925911
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
2.9
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
28
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| Complexity |
628
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(N1N=CN=C1)(C1C=CC(C(N2CCC(C3C=CC=CC=3)CC2)=O)=CC=1)(=O)=O
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| InChi Key |
LLBIFOHOSLRVRY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H20N4O3S/c25-20(23-12-10-17(11-13-23)16-4-2-1-3-5-16)18-6-8-19(9-7-18)28(26,27)24-15-21-14-22-24/h1-9,14-15,17H,10-13H2
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| Chemical Name |
(4-((1H-1,2,4-triazol-1-yl)sulfonyl)phenyl)(4-phenylpiperidin-1-yl)methanone
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| Synonyms |
HHS-0701; HHS 0701; HHS0701;
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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 is not stable in solution, please use freshly prepared working solution for optimal results. |
| 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 : ~100 mg/mL (~252.23 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.25 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 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. Solubility in Formulation 2: ≥ 2.08 mg/mL (5.25 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 20.8 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (5.25 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 | 2.5223 mL | 12.6116 mL | 25.2232 mL | |
| 5 mM | 0.5045 mL | 2.5223 mL | 5.0446 mL | |
| 10 mM | 0.2522 mL | 1.2612 mL | 2.5223 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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