| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
80 nM (hGX)[1]
ROC-0929 targets the human Group X secreted phospholipase A2 (hGX sPLA2). It is a potent and selective inhibitor with an IC50 of 80 nM. sPLA2s are a large family of enzymes that catalyze the rate-limiting step in the production of arachidonic acid from membrane phospholipids. The hGX isoform is thought to play a significant role in inflammatory disorders, particularly those affecting the respiratory tract. |
|---|---|
| ln Vitro |
In vitro, ROC-0929 is a potent and selective inhibitor of secreted phospholipases A2 (sPLA2s), specifically targeting the human GX (hGX) isoform with an IC50 of 80 nM. It inhibits the phosphorylation of downstream signaling proteins ERK1/2 and p38 in cellular models. By blocking this pathway, ROC-0929 has the potential to reduce the production of various pro-inflammatory eicosanoids. Its selectivity for hGX makes it a valuable tool for dissecting the specific role of this isoform.
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| ln Vivo |
In vivo activity data for ROC-0929 is not detailed in the provided sources. As a specific inhibitor of the hGX isoform of sPLA2, it is predicted to have applications in studying and treating inflammation-related diseases, such as asthma and other allergic conditions. In vivo studies would be required to validate its efficacy, for example, by demonstrating a reduction in airway inflammation in a mouse asthma model.
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| Enzyme Assay |
The in vitro inhibitory activity of ROC-0929 is determined using a cell-free sPLA2 enzyme activity assay. The hGX sPLA2 enzyme is incubated in a reaction buffer with varying concentrations of ROC-0929 (e.g., 0.1-1000 nM). The reaction is initiated by the addition of a substrate, such as a fluorescently labeled phospholipid. The hydrolysis of the substrate by the enzyme releases a fluorescent signal, which is measured over time. The IC50 is calculated to be 80 nM.
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| Cell Assay |
For cellular assays, a relevant cell line, such as the mast cell line RBL-2H3, can be pre-incubated with ROC-0929 at concentrations around its IC50 (e.g., 10-1000 nM). Cells are then stimulated with an sPLA2 activator or a cross-linking agent to trigger the arachidonic acid cascade. The cell supernatant is collected to measure levels of sPLA2-dependent products, such as arachidonic acid or specific prostaglandins, by ELISA. The activation of ERK1/2 and p38 MAPK in cell lysates can also be assessed by Western blot using phospho-specific antibodies.
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| Animal Protocol |
In vivo efficacy studies for ROC-0929 could be performed using an ovalbumin-induced mouse model of allergic airway inflammation. ROC-0929 would be formulated in a suitable vehicle (e.g., 10% DMSO, 40% PEG300, 5% Tween-80, 45% saline) and administered orally or via intraperitoneal injection at doses of 1-20 mg/kg. Mice would be treated with the compound during the challenge phase of the model. Bronchoalveolar lavage fluid (BALF) would be collected to measure inflammatory cell counts (eosinophils) and cytokine levels (e.g., IL-4, IL-5, IL-13). Lung tissue would be harvested for histopathology (e.g., H&E, PAS staining) to assess airway inflammation and mucus production.
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| ADME/Pharmacokinetics |
Detailed pharmacokinetic data for ROC-0929 is not publicly available. The compound has a molecular weight of 561.65 g/mol. For in vivo use, it is typically formulated using a co-solvent system to achieve adequate solubility. Researchers should conduct pilot PK studies to determine its half-life, Cmax, and oral bioavailability in their specific animal model.
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| Toxicity/Toxicokinetics |
Publicly available toxicology data for ROC-0929 is limited. In cell-based assays at concentrations used to demonstrate its effect on ERK1/2 phosphorylation (likely around its IC50 of 80 nM), no overt cytotoxicity is reported. The compound's selectivity for hGX over other sPLA2 isoforms suggests a lower risk of off-target effects. Standard safety precautions for handling research chemicals should be followed.
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| References | |
| Additional Infomation |
ROC-0929 is a research-grade compound and is not approved for clinical use. It is a high-quality chemical probe for investigating the specific role of the hGX isoform of secreted phospholipase A2 in inflammatory and allergic diseases. The compound should be stored as a powder at -20degC, protected from light and moisture. For research use only.
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| Molecular Formula |
C30H31N3O6S
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|---|---|
| Molecular Weight |
561.648646593094
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| Exact Mass |
561.193
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| CAS # |
1048660-43-0
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| PubChem CID |
24950868
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| Appearance |
Solid powder
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| LogP |
4.8
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
40
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| Complexity |
999
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(C1=C(N(CC2C=CC=CC=2)C2=CC=CC(OC(C)C(=O)NS(C3C=CC=CC=3)(=O)=O)=C12)CC(C)C)(=O)C(=O)N
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| InChi Key |
REUKAAAAEHWGGM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C30H31N3O6S/c1-19(2)17-24-27(28(34)29(31)35)26-23(33(24)18-21-11-6-4-7-12-21)15-10-16-25(26)39-20(3)30(36)32-40(37,38)22-13-8-5-9-14-22/h4-16,19-20H,17-18H2,1-3H3,(H2,31,35)(H,32,36)
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| Chemical Name |
N-(benzenesulfonyl)-2-[1-benzyl-2-(2-methylpropyl)-3-oxamoylindol-4-yl]oxypropanamide
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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: 12.5 mg/mL (22.26 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 | 1.7805 mL | 8.9023 mL | 17.8047 mL | |
| 5 mM | 0.3561 mL | 1.7805 mL | 3.5609 mL | |
| 10 mM | 0.1780 mL | 0.8902 mL | 1.7805 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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