| 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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| Other Sizes |
| Targets |
Rubimaillin targets multiple pathways. It is a dual inhibitor of ACAT1 and ACAT2, which are enzymes involved in cholesterol metabolism. It modulates the HER2 pathway in HER2-overexpressing cancer cells. It inhibits TNF-α-induced NF-κB activation. It may also act as a JAK2 inhibitor, blocking the activation of the JAK-STAT pathway to inhibit LPS-induced inflammatory responses.
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| 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].
In vitro, rubimaillin inhibits TNF-α-induced NF-κB reporter gene expression in a dose-dependent manner (0-80 μM). It inhibits the proliferation of HeLa cells and enhances TNF-α-induced apoptosis. It inhibits TNF-α-induced p65 phosphorylation and nuclear translocation, IκBα phosphorylation and degradation, and IKK phosphorylation. It reduces the production of c-Myc mRNA, VEGF, and Cyclin D1. It shows no obvious cytotoxicity in HeLa, Hep3B, and HEK293 cells. |
| 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].
In vivo, rubimaillin reduces tumor growth in a HeLa mouse xenograft model at doses of 25 and 75 mg/kg. It may be used for bone loss-associated disorders including osteoporosis, rheumatoid arthritis, and periodontitis. Its anti-inflammatory and anticancer activities make it a potential therapeutic agent. |
| Enzyme Assay |
Cell-free assays for rubimaillin measure its inhibition of ACAT1 and ACAT2 activity. Its ability to inhibit TNF-α-induced NF-κB activation can be assessed using reporter gene assays. Its JAK2 inhibitory activity can be measured in kinase assays. Its molecular weight (284.31) and formula (C17H16O4) are confirmed by mass spectrometry.
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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 Cellular assays for rubimaillin are performed on various cancer cell lines. Its effects on cell viability and proliferation are measured by MTT assay in HeLa, Hep3B, and HEK293 cells. Apoptosis is detected by flow cytometry. Its effect on NF-κB activation is measured by reporter gene assays and Western blot analysis of p65 and IκBα phosphorylation. Its effect on HER2 signaling is also assessed. |
| 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. In vivo animal experiments for rubimaillin are conducted in xenograft mouse models of HeLa cells, where it reduces tumor growth at doses of 25 and 75 mg/kg. Its anti-inflammatory and bone-protective effects are studied in appropriate animal models. These studies are crucial for confirming its in vivo efficacy. |
| ADME/Pharmacokinetics |
Rubimaillin has a molecular weight of 284.31 and a molecular formula of C17H16O4. It is a naphthohydroquinone. It is a yellow pigment. It is soluble in organic solvents. It should be stored under recommended conditions. Its pharmacokinetic properties are not extensively detailed. Its purity is >98%.
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| Toxicity/Toxicokinetics |
Rubimaillin is generally considered safe for research use. No significant toxicity has been reported. Its safety profile is consistent with other natural compounds. However, comprehensive toxicology studies are lacking. It is not an approved drug and is intended for research use.
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| References |
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| Additional Infomation |
Rubimaillin is a benzo[h]chromene compound with the structure 2H-benzo[h]chromene, substituted with two methyl groups at position 2, a methoxycarbonyl group at position 5, and a hydroxyl group at position 6. Rubimaillin is found in the traditional Chinese medicine Rubia cordifola and exerts its anticancer effects by inhibiting TNF-α-induced NF-κB activation. It is also a dual inhibitor of acyl-CoA:cholesterol acyltransferase 1 and 2 (ACAT1 and ACAT2), but with higher selectivity for the ACAT2 isoenzyme. Rubimaillin has multiple functions, including as a plant metabolite, an acyl-CoA:cholesterol acyltransferase 2 inhibitor, an NF-κB inhibitor, an antitumor agent, an apoptosis inducer, a neuroprotective agent, and an anti-inflammatory agent. It is a benzo[h]chromene, a methyl ester, belonging to the phenolic class of compounds. It has been reported that morugin is present in Rubia lanceolata, Rubia argyi, and other organisms with relevant data.
Rubimaillin is a naturally occurring naphthohydroquinone extracted from Rubia cordifolia L.. It is also known as Mollugin. It has anticancer, anti-inflammatory, and antioxidant properties. It is a dual inhibitor of ACAT1 and ACAT2 and a modulator of the HER2 pathway. It is a research compound with potential applications in cancer, inflammation, and bone diseases. |
| 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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