| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 100mg | |||
| Other Sizes |
| Targets |
3,29-Dibenzoyl rarounitriol targets multiple cellular signaling pathways involved in inflammation, cell survival, and proliferation, modulating NF-κB and other key regulators to exert its anti-inflammatory, cytotoxic, and antiviral activities.
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|---|---|
| ln Vitro |
In vitro studies demonstrate that 3,29-Dibenzoyl rarounitriol exhibits notable cytotoxic activity against various cancer cell lines, induces apoptosis through mitochondrial pathway activation, and inhibits cancer cell proliferation in a dose-dependent manner.
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| ln Vivo |
In vivo studies indicate that 3,29-Dibenzoyl rarounitriol possesses anti-inflammatory properties in animal models of inflammation, reducing edema and inflammatory cytokine production, though detailed in vivo efficacy data remain limited.
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| Enzyme Assay |
The in vitro enzyme/receptor binding assay for 3,29-Dibenzoyl rarounitriol involves incubating the compound with purified target enzymes (e.g., COX-2 or lipoxygenases) or receptor proteins, measuring inhibition via fluorogenic substrate conversion or competitive binding with radiolabeled ligands, with IC50 values determined from concentration-response curves.
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| Cell Assay |
In vitro cell culture studies utilize cancer cell lines such as HeLa, MCF-7, or HepG2, treating cells with serial dilutions of 3,29-Dibenzoyl rarounitriol for 24-72 hours, followed by MTT or CCK-8 assays for viability assessment, flow cytometry for apoptosis detection, and Western blotting for signaling pathway analysis.
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| Animal Protocol |
In vivo animal models for evaluating 3,29-Dibenzoyl rarounitriol include carrageenan-induced paw edema in rats for anti-inflammatory activity, xenograft tumor models in immunodeficient mice for anticancer efficacy, and viral infection models for antiviral assessment, with compound administered via oral gavage or intraperitoneal injection.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 3,29-Dibenzoyl rarounitriol are characterized by its high lipophilicity and poor aqueous solubility (soluble in DMSO at 10 mM), typical of pentacyclic triterpenoids; it is stored as a powder at room temperature and shows stability under standard laboratory conditions.
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| Toxicity/Toxicokinetics |
Toxicological evaluation of 3,29-Dibenzoyl rarounitriol is limited; acute toxicity studies in rodents have not been extensively reported, and the compound is classified as a research-grade product not intended for human or veterinary use, with safety precautions recommended during handling.
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| References | |
| Additional Infomation |
3,29-Dibenzoyl rarounitriol is exclusively a natural product research compound used as a reference standard for quality control of Trichosanthes kirilowii and related herbal medicines; it has not been approved for any clinical indications and remains an investigational tool for studying triterpenoid pharmacology and bioactivity.
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| Molecular Formula |
C44H58O5
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|---|---|
| Molecular Weight |
666.9283
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| Exact Mass |
666.428
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| CAS # |
873001-54-8
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| PubChem CID |
11556558
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
706.5±60.0 °C at 760 mmHg
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| Melting Point |
162-164ºC
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| Flash Point |
203.9±26.4 °C
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| Vapour Pressure |
0.0±2.4 mmHg at 25°C
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| Index of Refraction |
1.591
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| LogP |
13.08
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
49
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| Complexity |
1320
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| Defined Atom Stereocenter Count |
9
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| SMILES |
C[C@]12CC[C@@](C[C@H]1[C@@]3(CCC4=C([C@]3(CC2)C)[C@H](C[C@@H]5[C@@]4(CC[C@H](C5(C)C)OC(=O)C6=CC=CC=C6)C)O)C)(C)COC(=O)C7=CC=CC=C7
|
| InChi Key |
ZRKGVMOZKMBTHF-DUVCPVCPSA-N
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| InChi Code |
InChI=1S/C44H58O5/c1-39(2)33-26-32(45)36-31(42(33,5)20-19-35(39)49-38(47)30-16-12-9-13-17-30)18-21-43(6)34-27-40(3,22-23-41(34,4)24-25-44(36,43)7)28-48-37(46)29-14-10-8-11-15-29/h8-17,32-35,45H,18-28H2,1-7H3/t32-,33-,34+,35+,40+,41+,42+,43-,44+/m0/s1
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| Chemical Name |
[(2R,4aS,6aS,7S,8aR,10R,12aS,14aS,14bR)-10-benzoyloxy-7-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicen-2-yl]methyl benzoate
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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) |
DMSO : ~25 mg/mL (~37.49 mM)
Ethanol : ~4.55 mg/mL (~6.82 mM) |
|---|---|
| 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 | 1.4994 mL | 7.4970 mL | 14.9941 mL | |
| 5 mM | 0.2999 mL | 1.4994 mL | 2.9988 mL | |
| 10 mM | 0.1499 mL | 0.7497 mL | 1.4994 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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