| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| Other Sizes |
| Targets |
No classical pharmacological target. Vitamin B5 is a precursor of coenzyme A and acyl carrier protein. The labeled form serves as a mass-spectrometric reference for quantification and as a tracer for pantothenate uptake and metabolic flux.
|
|---|---|
| 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 [35].
No IC50 or EC50 applies. Quality attributes include isotopic enrichment (≥98 atom% 13C, ≥98 atom% 15N), chemical purity, and quantitative recovery in LC-MS/MS. These determine its performance as an internal standard or tracer. |
| ln Vivo |
No intrinsic in vivo pharmacological activity distinct from vitamin B5. As a tracer, labeled pantothenate is used to study absorption, tissue distribution, and conversion to coenzyme A and downstream metabolites in vivo.
|
| 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 vitamin B5 analysis by LC-MS/MS.
|
| Cell Assay |
Cell-based studies of pantothenate uptake and coenzyme A synthesis use labeled vitamin B5 as an internal standard or tracer, with quantification by LC-MS/MS.
|
| Animal Protocol |
In vivo pharmacokinetic and metabolic studies use labeled vitamin B5 as an internal standard or tracer. Plasma and tissue pantothenate and coenzyme A are quantified by LC-MS/MS, and the label is used to calculate absorption and metabolic flux.
|
| References |
| Molecular Formula |
C18H34CAN2O11
|
|---|---|
| Molecular Weight |
502.490112781525
|
| Exact Mass |
502.193
|
| CAS # |
2483830-09-5
|
| PubChem CID |
168443793
|
| Appearance |
White to off-white solid powder
|
| Hydrogen Bond Donor Count |
7
|
| Hydrogen Bond Acceptor Count |
11
|
| Rotatable Bond Count |
10
|
| Heavy Atom Count |
32
|
| Complexity |
233
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
CC(C)(CO)[C@H](C(=O)[15NH][13CH2][13CH2][13C](=O)[O-])O.CC(C)(CO)[C@H](C(=O)[15NH][13CH2][13CH2][13C](=O)[O-])O.O.[Ca+2]
|
| InChi Key |
KUKRZUPDYACRAM-JNSRWXOBSA-L
|
| InChi Code |
InChI=1S/2C9H17NO5.Ca.H2O/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);;1H2/q;;+2;/p-2/t2*7-;;/m00../s1/i2*3+1,4+1,6+1,10+1;;
|
| Chemical Name |
calcium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](1,2,3-13C3)propanoate;hydrate
|
| HS Tariff Code |
2934.99.9001
|
| 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, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| 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
|
|---|---|
| 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 | 1.9901 mL | 9.9504 mL | 19.9009 mL | |
| 5 mM | 0.3980 mL | 1.9901 mL | 3.9802 mL | |
| 10 mM | 0.1990 mL | 0.9950 mL | 1.9901 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
