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Oleanolic acid hemiphthalate disodium salt

Cat No.:V32360 Purity: ≥98%
Oleanolic acid hemiphthalate disodium salt is an anti~inflammatory agent.
Oleanolic acid hemiphthalate disodium salt
Oleanolic acid hemiphthalate disodium salt Chemical Structure CAS No.: 168770-31-8
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
Oleanolic acid hemiphthalate disodium salt is an anti~inflammatory agent.
Oleanolic acid hemiphthalate disodium salt (CAS# 168770-31-8) is an anti-inflammatory agent and a hemiphthalate derivative of oleanolic acid with potential anti-ulcer activities. It is also known as oleanolic acid hemiphthalate disodium salt. The molecular weight is approximately 648.79 with formula C3₈H₅0Na2O₆.
Biological Activity I Assay Protocols (From Reference)
Targets
Oleanolic acid hemiphthalate disodium salt targets inflammatory pathways as an anti-inflammatory agent. As a derivative of oleanolic acid, a naturally occurring pentacyclic triterpenoid with known anti-inflammatory and hepatoprotective properties, this compound is used to study inflammation and related therapeutic applications.
ln Vitro
Oleanolic acid hemiphthalate disodium salt demonstrates in vitro anti-inflammatory activity. The compound shows potential anti-ulcer activities. As a hemiphthalate derivative, it may offer improved solubility and pharmaceutical properties compared to the parent compound. Purity is typically >98%.
ln Vivo
In vivo, Oleanolic acid hemiphthalate disodium salt is used as a research tool to study anti-inflammatory and anti-ulcer effects. Further in vivo studies would be required to fully characterize its systemic activity, therapeutic potential, and mechanism of action in animal models of inflammation and ulcer disease.
Enzyme Assay
In vitro anti-inflammatory assays for Oleanolic acid hemiphthalate disodium salt typically involve treating inflammatory cells (e.g., macrophages, microglia) with varying concentrations of the compound, followed by stimulation with pro-inflammatory agents (e.g., LPS). Readouts include measurement of pro-inflammatory cytokines (TNF-alpha, IL-1beta, IL-6) by ELISA, nitric oxide production, and assessment of NF-kappaB pathway activation.
Cell Assay
In vitro cellular assays for Oleanolic acid hemiphthalate disodium salt involve treating relevant cell lines (e.g., macrophages, epithelial cells) with varying concentrations of the compound (typically 0.1-100 microM range) for 24-72 hours. Readouts include cell viability, assessment of inflammatory markers by qPCR or ELISA, and evaluation of antioxidant and cytoprotective effects.
Animal Protocol
In vivo animal studies for Oleanolic acid hemiphthalate disodium salt would typically employ rodent models of inflammation (e.g., carrageenan-induced paw edema, DSS-induced colitis) or ulcer disease. Animals would be administered the compound via appropriate routes at various doses. Endpoints include assessment of inflammatory markers, tissue histology, and disease severity scores.
ADME/Pharmacokinetics
Pharmacokinetic properties of Oleanolic acid hemiphthalate disodium salt are characteristic of triterpenoid derivatives. The disodium salt form may enhance aqueous solubility. PK parameters including half-life, Cmax, Tmax, and AUC would be determined via LC-MS/MS analysis following administration in appropriate animal models. The compound is typically stored as a powder at -20degC for up to 3 years.
Toxicity/Toxicokinetics
Oleanolic acid hemiphthalate disodium salt is a research-grade compound for laboratory use only. As with all research chemicals, standard safety precautions should be observed during handling including appropriate PPE and work in a fume hood. The compound is not intended for human therapeutic use.
Additional Infomation
Oleanolic acid hemiphthalate disodium salt (CAS# 168770-31-8) is an anti-inflammatory agent and hemiphthalate derivative of oleanolic acid with potential anti-ulcer activities. It is used as a research tool to study inflammation and related therapeutic applications. The compound is not approved for clinical use. It is typically stored at -20degC.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C38H50NA2O6
Molecular Weight
648.7796
Exact Mass
648.34
CAS #
168770-31-8
PubChem CID
138454806
Appearance
Typically exists as solid at room temperature
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
5
Heavy Atom Count
46
Complexity
1260
Defined Atom Stereocenter Count
8
SMILES
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)[O-])C)C)(C)C)OC(=O)C6=CC=CC=C6C(=O)[O-].[Na+].[Na+]
InChi Key
YBXPMGGHNXZAJS-IAYBDFNWSA-L
InChi Code
InChI=1S/C38H52O6.2Na/c1-33(2)18-20-38(32(42)43)21-19-36(6)25(26(38)22-33)12-13-28-35(5)16-15-29(34(3,4)27(35)14-17-37(28,36)7)44-31(41)24-11-9-8-10-23(24)30(39)40;;/h8-12,26-29H,13-22H2,1-7H3,(H,39,40)(H,42,43);;/q;2*+1/p-2/t26-,27-,28+,29-,35-,36+,37+,38-;;/m0../s1
Chemical Name
disodium;(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-(2-carboxylatobenzoyl)oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
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 Data
Solubility (In Vitro)
DMSO : ~20.83 mg/mL (~32.11 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.21 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 20.8 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: ≥ 2.08 mg/mL (3.21 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 20.8 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: ≥ 2.08 mg/mL (3.21 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 20.8 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 1.5414 mL 7.7068 mL 15.4135 mL
5 mM 0.3083 mL 1.5414 mL 3.0827 mL
10 mM 0.1541 mL 0.7707 mL 1.5414 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.

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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.

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