| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Iso-OMPA targets butyrylcholinesterase (BuChE), a serine hydrolase enzyme that hydrolyzes choline esters. The compound acts as a selective, covalent, and irreversible inhibitor of BuChE. Its selectivity for BuChE over acetylcholinesterase (AChE) is a key feature that makes it useful for studying the distinct roles of these two cholinesterases. Iso-OMPA enhances soman toxicity in rats, which is associated with inhibition of plasma carboxylesterase (CarbE).
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| ln Vitro |
In vitro, Iso-OMPA selectively inhibits butyrylcholinesterase (BuChE) activity. The compound's irreversible inhibition mechanism has been characterized in enzyme activity assays using purified BuChE or plasma samples. Its selectivity for BuChE over AChE has been confirmed in vitro. The compound is used to distinguish between BuChE and AChE activities in biological samples, as it inhibits BuChE while leaving AChE largely unaffected at appropriate concentrations.
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| ln Vivo |
In vivo, Iso-OMPA has been shown to enhance soman toxicity in rats, which is associated with the inhibition of plasma carboxylesterase (CarbE). This effect demonstrates the compound's ability to modulate cholinesterase activity in vivo. Iso-OMPA is used in toxicology research to study organophosphate poisoning and cholinesterase inhibition. Its in vivo effects are mediated through irreversible inhibition of BuChE and CarbE, leading to altered cholinergic signaling.
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| Enzyme Assay |
In vitro enzyme assays for Iso-OMPA typically involve measuring butyrylcholinesterase (BuChE) activity using colorimetric or spectrophotometric methods. The Ellman's assay is commonly used, where butyrylthiocholine is used as a substrate and the hydrolysis product reacts with DTNB to produce a yellow chromophore. Iso-OMPA is incubated with the enzyme preparation (purified BuChE or plasma) at various concentrations, and residual activity is measured. The irreversible nature of inhibition is confirmed by dialysis or dilution experiments.
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| Cell Assay |
In vitro cellular assays for Iso-OMPA are not typically performed, as the compound's primary use is in enzyme inhibition studies rather than cell-based assays. However, the compound can be used in cell culture to inhibit BuChE activity in cells that express the enzyme. Cells are treated with Iso-OMPA, and BuChE activity is measured in cell lysates or conditioned media using the Ellman's assay. Cell viability is assessed to ensure that observed effects are not due to cytotoxicity.
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| Animal Protocol |
In vivo animal studies for Iso-OMPA typically involve administration to rodents to study cholinesterase inhibition and organophosphate toxicity. The compound is administered via intraperitoneal or intravenous injection at various doses. Blood samples are collected to measure BuChE and AChE activities using the Ellman's assay. The compound's effects on soman toxicity have been studied by co-administering Iso-OMPA with soman and assessing survival and toxicity endpoints.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Iso-OMPA are limited. As an organophosphorus compound, it is expected to be rapidly absorbed and distributed to tissues. The compound's irreversible inhibition of BuChE results in prolonged pharmacodynamic effects that outlast the compound's presence in the circulation. Metabolism likely involves hydrolysis of the pyrophosphoramide bonds. Specific pharmacokinetic parameters such as half-life and bioavailability have not been reported in the available literature.
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| Toxicity/Toxicokinetics |
Iso-OMPA is an organophosphorus compound with established toxicity due to its irreversible inhibition of butyrylcholinesterase. The compound is labeled for research use only and is not intended for human consumption. Its toxicity is related to its ability to inhibit cholinesterases, leading to accumulation of acetylcholine and cholinergic toxicity. The compound's selectivity for BuChE over AChE reduces but does not eliminate its toxic potential. Appropriate safety precautions should be taken when handling this compound.
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| References | |
| Additional Infomation |
Diphosphoramide, N,N',N'',N'''-tetra(1-methylethyl)-, is a phosphoramide. N,N',N'',N'''-tetraisopropylpyrophosphoramide is a specific inhibitor of pseudocholinesterase. It is commonly used in experiments to determine whether pseudocholinesterase or acetylcholinesterase is involved in enzymatic reactions.
Iso-OMPA is a research tool for studying butyrylcholinesterase (BuChE) function and organophosphate toxicology. It is a selective, irreversible BuChE inhibitor that is used to distinguish between BuChE and AChE activities in biological samples. The compound is used to study BuChE-related diseases and to probe the role of BuChE in cholinergic signaling. Iso-OMPA enhances soman toxicity in rats, which is associated with inhibition of plasma carboxylesterase (CarbE). It is not approved for clinical use. |
| Molecular Formula |
C12H32N4O3P2
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|---|---|
| Molecular Weight |
342.36
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| Exact Mass |
342.195
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| CAS # |
513-00-8
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| PubChem CID |
5420
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| Appearance |
White to off-white solid powder
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| Density |
1.076g/cm3
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| Boiling Point |
396.7ºC at 760mmHg
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| Melting Point |
151 °C
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| Flash Point |
193.7ºC
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| Index of Refraction |
1.461
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| LogP |
4.774
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
21
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| Complexity |
336
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N(C(C)C)P(=O)(NC(C)C)OP(NC(C)C)(NC(C)C)=O
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| InChi Key |
IOIMDJXKIMCMIG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H32N4O3P2/c1-9(2)13-20(17,14-10(3)4)19-21(18,15-11(5)6)16-12(7)8/h9-12H,1-8H3,(H2,13,14,17)(H2,15,16,18)
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| Chemical Name |
N-[bis(propan-2-ylamino)phosphoryloxy-(propan-2-ylamino)phosphoryl]propan-2-amine
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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) |
H2O :~10 mg/mL (~29.21 mM; with sonication)
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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 | 2.9209 mL | 14.6045 mL | 29.2090 mL | |
| 5 mM | 0.5842 mL | 2.9209 mL | 5.8418 mL | |
| 10 mM | 0.2921 mL | 1.4605 mL | 2.9209 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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