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Valtrate

Cat No.:V9305 Purity: ≥98%
Valepotriate can be extracted from Valeriana jatamansi and has anti-epileptic and anti-cancer activities.
Valtrate
Valtrate Chemical Structure CAS No.: 18296-44-1
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
Valepotriate can be extracted from Valeriana jatamansi and has anti-epileptic and anti-cancer activities.
Biological Activity I Assay Protocols (From Reference)
ln Vivo
At dosages of 5, 10, and 20 mg/kg, valepotriate demonstrated strong anti-epileptic action against MES- and PTZ-induced epilepsy, with ED50 values of 7.84 and 7.19 mg/kg for MES- and PTZ-induced epilepsy, respectively. Furthermore, in the sodium pentobarbital-induced sleep time test, the doses of 10 and 20 mg/kg significantly increased sleep duration and decreased latency. Furthermore, valepotriate (5, 10 and 20 mg/kg) has no discernible effect on caspase-3 expression, but it can dramatically up-regulate the expression of GABAA, GAD65, and Bcl-2 and down-regulate the production of caspase-3. Gababu [2].
References

[1]. A novel derivative of valepotriate inhibits the PI3K/AKT pathway and causes Noxa-dependent apoptosis in human pancreatic cancer cells. Acta Pharmacol Sin. 2020 Feb 11.

[2]. Anti-epileptic Effects of Valepotriate Isolated from Valeriana jatamansi Jones and Its Possible Mechanisms. Pharmacogn Mag. 2017 Jul-Sep;13(51):512-516.

Additional Infomation
Valtratum is a fatty acid ester.
Valtrate has been reported in Valeriana stolonifera, Valeriana sitchensis, and other organisms with data available.
See also: Viburnum opulus bark (part of).
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C22H30O8
Molecular Weight
422.4688
Exact Mass
422.194
CAS #
18296-44-1
PubChem CID
442436
Appearance
Light brown to brown ointment
Density
1.2±0.1 g/cm3
Boiling Point
525.9±50.0 °C at 760 mmHg
Flash Point
226.5±30.2 °C
Vapour Pressure
0.0±1.4 mmHg at 25°C
Index of Refraction
1.528
LogP
2.36
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
11
Heavy Atom Count
30
Complexity
765
Defined Atom Stereocenter Count
4
SMILES
O1C([H])([H])[C@@]21[C@]([H])(C([H])=C1C(C([H])([H])OC(C([H])([H])[H])=O)=C([H])O[C@]([H])([C@]21[H])OC(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=O)OC(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=O
InChi Key
BDIAUFOIMFAIPU-KVJIRVJXSA-N
InChi Code
InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1
Chemical Name
[(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate
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: This product requires protection from light (avoid light exposure) during transportation and storage.
Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO : ~100 mg/mL (~236.70 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.92 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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: 2.5 mg/mL (5.92 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly.
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.

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Solubility in Formulation 3: ≥ 2.5 mg/mL (5.92 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.


 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.3670 mL 11.8352 mL 23.6703 mL
5 mM 0.4734 mL 2.3670 mL 4.7341 mL
10 mM 0.2367 mL 1.1835 mL 2.3670 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
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  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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.

Biological Data
  • Effects of valepotriate and diazepam on pentobarbital sodium-induced sleeping time model in mice (n = 10). Positive and control groups were diazepam (4 mg/kg) and 1% DMSO. *P < 0.05, **P < 0.01, compared with control group.[2]. Wu A, et al. Anti-epileptic Effects of Valepotriate Isolated from Valeriana jatamansi Jones and Its Possible Mechanisms. Pharmacogn Mag. 2017 Jul-Sep;13(51):512-516.
  • Effects of valepotriate on the expression of GABAA and GABAB proteins in the brain of chronic epileptic rats (n = 10). Control group was 1% DMSO. **P < 0.01, compared with control group.[2]. Wu A, et al. Anti-epileptic Effects of Valepotriate Isolated from Valeriana jatamansi Jones and Its Possible Mechanisms. Pharmacogn Mag. 2017 Jul-Sep;13(51):512-516.
  • Effects of valepotriate on the expression of glutamic acid decarboxylase65 protein in the brain of chronic epileptic rats (n = 10). Control group was 1% DMSO. **P < 0.01, compared with control group.[2]. Wu A, et al. Anti-epileptic Effects of Valepotriate Isolated from Valeriana jatamansi Jones and Its Possible Mechanisms. Pharmacogn Mag. 2017 Jul-Sep;13(51):512-516.
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