| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
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| Other Sizes |
| Targets |
Osteoclast differentiation and activity, osteoblast differentiation. Toddaculin inhibits osteoclast differentiation via activation of NF-kappaB, ERK 1/2, and p38 MAPK signaling pathways. It induces osteoblast differentiation and mineralization by regulating differentiation factors.
|
|---|---|
| ln Vitro |
In U-937 cells, toddaculin (5-250 μM; 24-72 h) exhibits anti-proliferative action with an IC50 of 51.38 μM[1]. In U -937 leukemic cells, todaculin (25-250 μM; 24-48 h) causes partial differentiation[1].
Toddaculin induces leukemia cell differentiation and apoptosis. It inhibits excessive osteoclast activity and enhances osteoblast differentiation and mineralization. It has anti-inflammatory activity. |
| ln Vivo |
Toddaculin may be beneficial for the prevention and treatment of osteoporosis. It has been investigated for its potential in treating infections, inflammatory diseases, and cancer.
|
| Enzyme Assay |
Osteoclast differentiation assays: RAW 264.7 cells are treated with RANKL to induce osteoclast differentiation. Toddaculin is added, and osteoclast formation is assessed by TRAP staining. Signaling pathway activation is measured by Western blot (NF-kappaB, ERK, p38).
|
| Cell Assay |
Leukemia cell lines (e.g., HL-60, U937) are treated with toddaculin. Cell differentiation is assessed by NBT reduction assay or expression of differentiation markers. Apoptosis is evaluated by Annexin V/PI staining. Cell viability is measured using MTT assays.
|
| Animal Protocol |
Animal models of osteoporosis (e.g., ovariectomized mice) could be used to evaluate toddaculin. Bone mineral density and bone turnover markers would be assessed. Anti-inflammatory activity could be evaluated in models of inflammation.
|
| ADME/Pharmacokinetics |
Toddaculin has a molecular weight of 274.32 and a molecular formula of C1₆H1₈O4. It is a natural product with a coumarin structure. Detailed pharmacokinetic parameters have not been reported.
|
| Toxicity/Toxicokinetics |
No detailed toxicity data has been published for toddaculin. As a natural product, it is generally considered to have low toxicity. However, comprehensive toxicological studies have not been performed.
|
| References |
|
| Additional Infomation |
According to reports, 2H-1-benzopyran-2-one, 5,7-dimethoxy-6-(3-methyl-2-butenyl)- has been found in Asian peppercorns, and relevant data is available.
Toddaculin is a natural coumarin isolated from Toddalia asiatica. It induces leukemia cell differentiation and apoptosis. It has potential applications in osteoporosis and cancer. The compound is for research use only and has not entered clinical trials. |
| Molecular Formula |
C16H18O4
|
|---|---|
| Molecular Weight |
274.31
|
| Exact Mass |
274.121
|
| CAS # |
4335-12-0
|
| PubChem CID |
5321960
|
| Appearance |
White to off-white solid powder
|
| Density |
1.138g/cm3
|
| Boiling Point |
432.8ºC at 760 mmHg
|
| Flash Point |
192.2ºC
|
| Index of Refraction |
1.547
|
| LogP |
3.318
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
20
|
| Complexity |
409
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
KRQHZFHWEAJPNO-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C16H18O4/c1-10(2)5-6-11-13(18-3)9-14-12(16(11)19-4)7-8-15(17)20-14/h5,7-9H,6H2,1-4H3
|
| Chemical Name |
5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one
|
| 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 (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)
|
| Solubility (In Vitro) |
DMSO : 50 mg/mL (182.28 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 | 3.6455 mL | 18.2276 mL | 36.4551 mL | |
| 5 mM | 0.7291 mL | 3.6455 mL | 7.2910 mL | |
| 10 mM | 0.3646 mL | 1.8228 mL | 3.6455 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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