| Size | Price | Stock | Qty |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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Rubimaillin (Mollugin) is a naturally occuring naphthohydroquinone extracted from Rubia cordifolia L. with anticancer activity. It acts as a potent and dual inhibitor of ACAT1 and ACAT2, also a modulator of the HER2 pathway, and an inhibitor of TNF-α-induced NF-κB activation. Thus it may be used in the treatment and prevention of human breast and ovarian Y with HER2 overexpression. In addition to the anticancer effects, Rubimaillin may be used as a JAK2 inhibitor that inhibits LPS-induced inflammatory responses by blocking the activation of the JAK-STAT pathway. It has the potential to be used for bone loss-associated disorders including osteoporosis, rheumatoid arthritis, and periodontitis.
| ln Vitro |
TNF-α-induced NF-κB reporter gene expression is dose-dependently inhibited by mollugin (0-80 μM, 24 hours) [1]. The proliferation of HeLa cells is inhibited by mollugin (0-80 μM, 12 hours) [1]. TNF-α-induced p65 phosphorylation and nuclear translocation, IκBα phosphorylation and degradation, and IKK phosphorylation are all inhibited by Mollugin (0-80 μM, 12 h). TNF-α also decreases the production of c-Myc mRNA, VEGF, and Cyclin D1[1]. TNF-α-induced apoptosis is enhanced by mollugin (0-80 μM, 12 hours) [1].
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| ln Vivo |
In xenograft tumor models, mollugin (0-75 mg/kg) administered orally three times a week for 36 days reduces the proliferation of HeLa cells [1].
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| Cell Assay |
Cell viability assay [1]
Cell Types: HeLa, Hep3B and HEK293 Cell Tested Concentrations: 0, 10, 20, 40 and 80 μM Incubation Duration: 24 hrs (hours) Experimental Results: Significant inhibition of NF-κB reporter gene expression in a dose-dependent manner, in No obvious cytotoxicity was demonstrated in HeLa, Hep3B and HEK293 cells. Cell proliferation experiment [1] Cell Types: HeLa cell Tested Concentrations: 0, 20, 40, 80 μM Incubation Duration: 12 h Experimental Results: Inhibition of HeLa cell proliferation. Apoptosis analysis [1] Cell Types: HeLa Cell Tested Concentrations: 0, 10, 20, 40 and 80 μM Incubation Duration: 12 hrs (hours) Experimental Results: Slightly affected caspase-3 activation, enhanced TNF-α-induced PARP cleavage, and enhanced Apoptotic effects of TNF-α. Western Blot Analysis[1] Cell Types: HeLa Cell Tested Concentrations: 0, 10, 20, 40 and 80 μM Incubation Duration: 12 h Experimental Results: Dramatically inhibited TNF-α-induced p65 phosphorylation and blocked TNF-α-induced nuclear Translocated p65 completely inhibited IκBα degradation at 80 μM and abolished TNF-α-induced IKK p |
| Animal Protocol |
Animal/Disease Models: BALB/c female athymic nude mice (6 weeks old, subcutaneous injection of 0.2 mL HeLa cells) [1]
Doses: 0, 25 and 75 mg/kg Route of Administration: Orally, 3 times a week for 36 days Experimental Results: Tumor growth inhibited, but body weight unchanged. Dramatically diminished the protein expression of p-p65 and COX-2 in tumors. |
| References |
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| Additional Infomation |
Rubimaillin is a benzochromene that is 2H-benzo[h]chromene which is substituted by two methyl groups at position 2, a methoxycarbonyl group at position 5, and a hydroxy group at position 6. Found in the Chinese medical plant Rubia cordifola, It has an anti-cancer effect by inhibition of TNF-alpha-induced NF-kappaB activation. It is also a dual inhibitor of acyl-CoA:cholesterol acyltransferase 1 and 2 (ACAT1 and ACAT2), but is more selective for the ACAT2 isozyme. It has a role as a plant metabolite, an acyl-CoA:cholesterol acyltransferase 2 inhibitor, a NF-kappaB inhibitor, an antineoplastic agent, an apoptosis inducer, a neuroprotective agent and an anti-inflammatory agent. It is a benzochromene, a methyl ester and a member of phenols.
Mollugin has been reported in Rubia lanceolata, Rubia argyi, and other organisms with data available. |
| Molecular Formula |
C17H16O4
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|---|---|
| Molecular Weight |
284.31
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| Exact Mass |
284.104
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| CAS # |
55481-88-4
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| PubChem CID |
124219
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
453.2±45.0 °C at 760 mmHg
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| Melting Point |
132-134ºC
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| Flash Point |
167.5±22.2 °C
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| Vapour Pressure |
0.0±1.1 mmHg at 25°C
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| Index of Refraction |
1.619
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| LogP |
5.16
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
21
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| Complexity |
442
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
VLGATXOTCNBWIT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H16O4/c1-17(2)9-8-12-13(16(19)20-3)14(18)10-6-4-5-7-11(10)15(12)21-17/h4-9,18H,1-3H3
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| Chemical Name |
methyl 6-hydroxy-2,2-dimethylbenzo[h]chromene-5-carboxylate
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| Synonyms |
Mollugin Rubimaillin
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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: 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)
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| Solubility (In Vitro) |
DMSO : ~33.33 mg/mL (~117.23 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.79 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 (8.79 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 | 3.5173 mL | 17.5864 mL | 35.1729 mL | |
| 5 mM | 0.7035 mL | 3.5173 mL | 7.0346 mL | |
| 10 mM | 0.3517 mL | 1.7586 mL | 3.5173 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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