| Size | Price | Stock | Qty |
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| 500μg |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Deuterium labelled NAD+; coenzyme
NAD⁺-d4, like unlabeled NAD⁺, is a coenzyme for various oxidoreductase enzymes, including dehydrogenases. It participates in redox reactions, transferring electrons between substrates. The deuterium label does not alter its biological activity but allows for its analytical quantification. |
|---|---|
| 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 impact on a drug's pharmacokinetics and metabolic profile, it has drawn attention [1].
In vitro, NAD⁺-d4 is used as an internal standard for the quantification of NAD⁺ and NADH in biological samples using mass spectrometry. It exhibits the same biochemical properties as unlabeled NAD⁺ but is distinguished by its mass. |
| ln Vivo |
In vivo, NAD⁺-d4 behaves identically to unlabeled NAD⁺. It is a key coenzyme involved in cellular metabolism, including glycolysis, the TCA cycle, and oxidative phosphorylation. The deuterium label allows for tracking of NAD⁺ metabolism in vivo.
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| Enzyme Assay |
Non-cellular assays for NAD⁺-d4 typically involve its use as an internal standard in analytical chemistry. It is spiked into samples, and the ratio of labeled to unlabeled NAD⁺ is measured by LC-MS/MS to quantify the amount of NAD⁺ present.
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| Cell Assay |
In vitro cellular assays: NAD⁺-d4 can be added to cell culture to study NAD⁺ metabolism and redox state. Cellular NAD⁺ and NADH levels are extracted and analyzed by LC-MS/MS using the deuterated compound as an internal standard.
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| Animal Protocol |
In vivo animal experiments: NAD⁺-d4 is administered to animals to study NAD⁺ pharmacokinetics and metabolism. Blood and tissue samples are collected, and NAD⁺ and its metabolites are quantified by LC-MS/MS using the labeled compound as an internal standard.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties: NAD⁺-d4 behaves identically to unlabeled NAD⁺. It is a polar molecule that does not readily cross cell membranes; intracellular NAD⁺ is synthesized from precursors.
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| Toxicity/Toxicokinetics |
Toxicological profile: NAD⁺-d4 is a stable isotope-labeled coenzyme with low toxicity. NAD⁺ is an endogenous metabolite and is safe at physiological concentrations.
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| References |
[1]. https://pubchem.ncbi.nlm.nih.gov/compound/169449933
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| Additional Infomation |
NAD⁺-d4 is used as an internal standard for NAD⁺ quantification in metabolomics and clinical research. It is not approved for clinical use.
|
| Molecular Formula |
C21H23D4N7O14P2
|
|---|---|
| Molecular Weight |
667.45
|
| Exact Mass |
667.134229
|
| Related CAS # |
NAD+;53-84-9;NAD sodium;20111-18-6;NAD+-13C5 ammonium;NAD+-13C5-1;1859096-06-2
|
| Appearance |
White to OffWhite Solid
|
| LogP |
-6
|
| Hydrogen Bond Donor Count |
7
|
| Hydrogen Bond Acceptor Count |
18
|
| Rotatable Bond Count |
11
|
| Heavy Atom Count |
44
|
| Complexity |
1120
|
| Defined Atom Stereocenter Count |
6
|
| SMILES |
[2H]C1=C(C(=C([N+](=C1[2H])[C@H]2[C@H](C([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3C([C@@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)[2H])C(=O)N)[2H]
|
| InChi Key |
BAWFJGJZGIEFAR-IXMLGZSLSA-N
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| InChi Code |
InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13?,14?,15+,16+,20-,21-/m1/s1/i1D,2D,3D,4D
|
| Chemical Name |
[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,4S,5R)-5-(3-carbamoyl-2,4,5,6-tetradeuteriopyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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) |
Water (Soluble; ~41.7 mg/mL or ~62.4 mM)
DMSO (Soluble) |
|---|---|
| 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 | 1.4982 mL | 7.4912 mL | 14.9824 mL | |
| 5 mM | 0.2996 mL | 1.4982 mL | 2.9965 mL | |
| 10 mM | 0.1498 mL | 0.7491 mL | 1.4982 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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