| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
No classical pharmacological target. The compound is a labeled folate metabolite standard; its d4 label provides a mass-spectrometric reference for quantification of the unlabeled 4-aminobenzoylglutamate in biological matrices and for tracing folate catabolism.
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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 affect a drug's pharmacokinetics and metabolic properties, it is a cause for concern [75].
No IC50 or EC50 applies. Quality attributes include isotopic enrichment (≥98 atom% D), chemical purity, and quantitative recovery in LC-MS/MS. These determine its performance as an internal standard. |
| ln Vivo |
No intrinsic in vivo pharmacological activity. The labeled compound is used as an internal standard in studies of folate metabolism and disposition, not as a therapeutic agent.
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| Enzyme Assay |
Purity and isotopic enrichment are confirmed by HPLC, LC-MS, and NMR. The compound is used to prepare calibration standards and internal standard solutions for quantitative analysis of folate metabolites by LC-MS/MS.
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| Cell Assay |
Cell-based studies use the labeled compound as an internal standard for quantifying 4-aminobenzoylglutamate formation from folic acid in culture media and cell extracts by LC-MS/MS.
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| Animal Protocol |
In vivo pharmacokinetic studies use the labeled compound as an internal standard for plasma and urine quantification of folate metabolites by LC-MS/MS.
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| References |
| Molecular Formula |
C12H10D4N2O5
|
|---|---|
| Molecular Weight |
270.27500
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| Exact Mass |
270.115
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| CAS # |
461426-34-6
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| Related CAS # |
(4-Aminobenzoyl)-L-glutamic acid;4271-30-1
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| PubChem CID |
71313152
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| Appearance |
White to off-white solid powder
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| LogP |
1.288
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
19
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| Complexity |
350
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| Defined Atom Stereocenter Count |
1
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| SMILES |
[2H]C1=C(C(=C(C(=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[2H])[2H])N)[2H]
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| InChi Key |
GADGMZDHLQLZRI-SGWYWVALSA-N
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| InChi Code |
InChI=1S/C12H14N2O5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)(H,18,19)/t9-/m0/s1/i1D,2D,3D,4D
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| Chemical Name |
(2S)-2-[(4-amino-2,3,5,6-tetradeuteriobenzoyl)amino]pentanedioic 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) |
DMSO: ~100 mg/mL (~370.0 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (4.63 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (12.5 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 1.25 mg/mL (4.63 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 DMSO stock solution (12.5 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.6999 mL | 18.4993 mL | 36.9987 mL | |
| 5 mM | 0.7400 mL | 3.6999 mL | 7.3997 mL | |
| 10 mM | 0.3700 mL | 1.8499 mL | 3.6999 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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