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| 1mg |
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| 5mg |
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| 10mg | |||
| Other Sizes |
| Targets |
GB-88 targets protease-activated receptor 2 (PAR2), a G-protein-coupled receptor involved in inflammation, pain, and gastrointestinal function. The compound is a selective non-peptide PAR2 antagonist that inhibits PAR2-mediated intracellular calcium release. It shows antagonist activity against multiple PAR2 agonists including 2f-LIGRLO-NH2, trypsin, SLIGRL-NH2, and GB110.
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| ln Vitro |
In HT29 cells, GB-88 prevents the release of iCa2+ when islet starch, 2f-LIGRLO-NH2, and GB110 (a PAR2 agonist) are added. GB-88 exhibits agonist-dependent antagonism [1].
In vitro, GB-88 inhibits PAR2-activated Ca2+ release with an IC₅0 of 2 microM. The compound demonstrates specific antagonist activity against four structurally and mechanistically different PAR2 agonists. It is a selective non-peptide PAR2 antagonist with potent in vitro activity. Detailed cellular activity data against specific PAR2 agonists are available in the literature. |
| ln Vivo |
GB-88 (10 mg/kg, olive medium artery) suppresses PAR2-induced acute regulation in vivo and possesses both internal anti-inflammatory and epidermal efficacy against four structurally and mechanistically diverse PAR2 agonists (isletin, GB110, SLIGRL-NH2, and f-LIGRLO-NH2) [1].
In vivo, GB-88 (10 mg/kg, p.o. in olive oil) is both orally active and anti-inflammatory. It inhibits acute colonic inflammation induced in rats by the PAR2 agonist SLIGRL-NH2, with markedly reduced edema, mucin depletion, PAR2 receptor internalization, and mastocytosis. The compound's oral activity and anti-inflammatory efficacy make it a valuable tool for studying PAR2-mediated inflammation in vivo. |
| Enzyme Assay |
The in vitro receptor binding and functional assay for PAR2 uses cells expressing the receptor. Calcium mobilization assays are performed using fluorescent calcium indicators (such as Fura-2 or Fluo-4). Cells are pre-incubated with varying concentrations of GB-88, then stimulated with PAR2 agonists (2f-LIGRLO-NH2, trypsin, SLIGRL-NH2, or GB110). Intracellular calcium levels are measured by fluorescence, and IC₅0 values are calculated from dose-response curves.
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| Cell Assay |
For in vitro cell-based assays, cells expressing PAR2 (such as primary cells or transfected cell lines) are cultured and treated with GB-88 at various concentrations. Calcium mobilization is measured in response to PAR2 agonists. Receptor internalization may be assessed by immunofluorescence or flow cytometry. Cell viability is assessed to confirm that the compound is not cytotoxic. Experiments are typically performed in triplicate with appropriate positive and negative controls.
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| Animal Protocol |
Animal/Disease Models: Male Wistar rats (8–9 weeks) [1]
Doses: 10 mg/kg Route of Administration: po (oral gavage) of olive oil Experimental Results: It has oral activity and in vivo anti-inflammatory effects on four different structures and mechanisms. PAR2 agonists (2f-LIGRLO-NH2, trypsin, SLIGRL-NH2, and GB110) have specific antagonistic activity. In vivo animal studies for GB-88 typically involve rat models of acute colonic inflammation induced by PAR2 agonists such as SLIGRL-NH2. GB-88 is administered orally at 10 mg/kg in olive oil. Inflammation is assessed by measuring edema (tissue weight), mucin depletion (histological staining), PAR2 receptor internalization (immunohistochemistry), and mast cell infiltration (mast cell staining). Anti-inflammatory efficacy is evaluated by comparing these parameters to vehicle-treated controls. |
| ADME/Pharmacokinetics |
GB-88 is orally active with good bioavailability. The compound has molecular weight 546.70 and molecular formula C32H42N4O4. It is soluble in DMSO at 31.25 mg/mL. Storage: powder at -20degC for 3 years or -80degC in solvent for 6 months. The compound is typically formulated in olive oil for oral administration in vivo. Further detailed PK parameters would require dedicated studies.
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| Toxicity/Toxicokinetics |
Toxicological data for GB-88 are not well characterized in the public domain. As a research chemical, standard safety precautions should be observed. The compound is for laboratory use only and not intended for human therapeutic applications. PAR2 antagonists as a class may have potential effects on inflammation and pain signaling. Comprehensive toxicity profiling would be required for therapeutic development.
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| References | |
| Additional Infomation |
GB-88 (CAS# 1416435-96-5) is an oral, selective non-peptide PAR2 antagonist. It inhibits PAR2-activated Ca2+ release with an IC₅0 of 2 microM and shows anti-inflammatory activity in vivo. The compound is used in PAR2 research and is not approved for clinical use.
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| Molecular Formula |
C32H42N4O4
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| Molecular Weight |
546.700288295746
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| Exact Mass |
546.32
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| CAS # |
1416435-96-5
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| PubChem CID |
57330164
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| Appearance |
White to off-white solid powder
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| LogP |
6.5
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
40
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| Complexity |
924
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| Defined Atom Stereocenter Count |
3
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| SMILES |
O=C([C@@H]([C@H](C)CC)NC([C@@H](CC1CCCCC1)NC(C1=CC=NO1)=O)=O)N1CCC2(C=CC3C=CC=CC2=3)CC1
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| InChi Key |
DCUDDCGUKZLQLN-MCOVPRHSSA-N
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| InChi Code |
InChI=1S/C32H42N4O4/c1-3-22(2)28(31(39)36-19-16-32(17-20-36)15-13-24-11-7-8-12-25(24)32)35-29(37)26(21-23-9-5-4-6-10-23)34-30(38)27-14-18-33-40-27/h7-8,11-15,18,22-23,26,28H,3-6,9-10,16-17,19-21H2,1-2H3,(H,34,38)(H,35,37)/t22-,26-,28-/m0/s1
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| Chemical Name |
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
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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 : ~31.25 mg/mL (~57.16 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.80 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 (3.80 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 (3.80 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 | 1.8292 mL | 9.1458 mL | 18.2916 mL | |
| 5 mM | 0.3658 mL | 1.8292 mL | 3.6583 mL | |
| 10 mM | 0.1829 mL | 0.9146 mL | 1.8292 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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