| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Target: Isotope-Labeled Compounds / Amino Acid Metabolite. N-Acetylglutamate (NAG) is an essential activator of carbamoyl phosphate synthetase I (CPS1), the rate-limiting enzyme of the urea cycle. It is synthesized from glutamate and acetyl-CoA by N-acetylglutamate synthase (NAGS). The labeled form is an analytical standard, not a pharmacological target.
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| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
In vitro, stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. No specific cell-based activity is reported for the labeled form beyond its use as a tracer in metabolic studies. |
| ln Vivo |
In vivo, the unlabeled N-acetylglutamate is an endogenous activator of the urea cycle. Deficiencies in NAGS lead to hyperammonemia. The labeled standard is not administered for efficacy studies but is used as an internal standard to quantify N-acetylglutamate levels in plasma or urine from animal models of urea cycle disorders, liver disease, or metabolic syndrome.
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| Enzyme Assay |
For cell-free assays: biological samples (plasma, urine, liver homogenates) are spiked with Ac-D-Glu-OH-d5 internal standard. After protein precipitation with acetonitrile/methanol, and optional derivatization (e.g., with dansyl chloride or 3-nitrophenylhydrazine), the samples are analyzed by LC-MS/MS or GC-MS. Quantitation of N-acetylglutamate is based on the analyte/internal standard peak area ratio. A C18 reverse-phase column and negative ion mode ESI are typically used.
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| Cell Assay |
No cell-based assays are performed with the deuterated standard. The unlabeled N-acetylglutamate may be tested in hepatocyte cultures to study urea cycle function. Cells are treated with ammonia or glutamine, and N-acetylglutamate levels are measured by LC-MS using the labeled internal standard. The standard is not used as an active compound in these assays.
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| Animal Protocol |
No animal studies are conducted with the labeled internal standard itself. For PK and metabolic studies of N-acetylglutamate or its analogs, animals (mice, rats) are dosed with the unlabeled compound, and plasma, liver, or urine samples are collected. The internal standard is used in LC-MS/MS bioanalysis to quantify N-acetylglutamate concentrations for PK parameter determination and for studying urea cycle disorders.
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| ADME/Pharmacokinetics |
PK properties of N-acetylglutamate: It is an endogenous metabolite with a short half-life (<1 h). After IV administration, it is rapidly distributed and metabolized. It does not cross the blood-brain barrier efficiently. It is primarily excreted in urine as unchanged compound and as glutamic acid after deacetylation. The deuterated standard does not exhibit distinct PK behavior and co-elutes with the unlabeled analyte in HPLC, ensuring accurate quantitation by stable isotope dilution mass spectrometry.
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| Toxicity/Toxicokinetics |
No toxicity data are available for the deuterated standard. N-Acetylglutamate is an endogenous metabolite and is generally considered safe. In high doses (>500 mg/kg in animal studies), it may cause mild gastrointestinal disturbances. The labeled compound is for research use only and is not intended for human therapeutic administration. It is non-hazardous for transport under normal laboratory conditions.
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| References | |
| Additional Infomation |
Ac-D-Glu-OH-d5 is a research standard, not an approved drug. It is not FDA-approved for clinical use. However, N-acetylglutamate (Carbaglu) is an FDA-approved orphan drug for the treatment of acute hyperammonemia in patients with N-acetylglutamate synthase (NAGS) deficiency. The labeled standard is used in pharmaceutical quality control, analytical method validation (AMV), and PK studies of N-acetylglutamate and related compounds. It is essential for stable isotope dilution assays for inborn errors of metabolism (e.g., urea cycle disorders).
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| Molecular Formula |
C7H6D5NO5
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|---|---|
| Molecular Weight |
194.19674889
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| Exact Mass |
194.095
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| CAS # |
14341-87-8
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| Related CAS # |
Ac-D-Glu-OH;19146-55-5
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| PubChem CID |
102602337
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
495.9±35.0 °C at 760 mmHg
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| Flash Point |
253.7±25.9 °C
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| Vapour Pressure |
0.0±2.7 mmHg at 25°C
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| Index of Refraction |
1.502
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| LogP |
-2.24
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
13
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| Complexity |
225
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| Defined Atom Stereocenter Count |
1
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| SMILES |
[2H][C@](C(=O)O)(C([2H])([2H])C([2H])([2H])C(=O)O)NC(=O)C
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| InChi Key |
RFMMMVDNIPUKGG-WZERSISLSA-N
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| InChi Code |
InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m1/s1/i2D2,3D2,5D
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| Chemical Name |
(2R)-2-acetamido-2,3,3,4,4-pentadeuteriopentanedioic acid
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 5.1493 mL | 25.7467 mL | 51.4933 mL | |
| 5 mM | 1.0299 mL | 5.1493 mL | 10.2987 mL | |
| 10 mM | 0.5149 mL | 2.5747 mL | 5.1493 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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