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| Targets |
Roemerine interacts with multiple molecular targets. It exhibits antibacterial effects by regulating the cAMP signaling pathway. It has been identified as a potential xanthine oxidase (XOD) inhibitor, which is relevant for the treatment of gout. It can reverse the multidrug resistance phenotype in cultured cells. It also upregulates BDNF protein expression and modulates serotonergic/glutamatergic systems to produce antidepressant effects.
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| ln Vitro |
In vitro, roemerine has demonstrated significant antibacterial activity against Escherichia coli. It exhibits anticancer activity, induces apoptosis, and inhibits tumor cell proliferation. It reverses multidrug resistance in cultured cells. It has anti-inflammatory and vasorelaxant effects. It also shows significant anti-plasmodial activities with IC50 values ranging from 1.2 μM to 52.3 μM. It increases cell membrane permeability in a concentration-dependent manner.
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| ln Vivo |
In vivo, roemerine has been studied for its antidepressant activity. It exerts antidepressant effects by upregulating BDNF protein expression and modulating serotonergic/glutamatergic systems. Its antimicrobial, anti-inflammatory, and potential anticancer effects are also being investigated. In animal studies, it causes an increase in excitability, convulsions, and vomiting. Its broad bioactivity profile makes it a valuable natural compound for drug discovery.
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| Enzyme Assay |
Cell-free assays for roemerine include measuring its inhibition of xanthine oxidase (XOD). Its anti-plasmodial activity is assessed in cell-free systems measuring parasite growth. Its interaction with the cAMP signaling pathway can also be studied in vitro. Its purity (>95%) is confirmed by HPLC. Its molecular weight and formula are established.
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| Cell Assay |
Cellular assays for roemerine measure its effects on cancer cells, bacteria, and parasites. Its ability to reverse multidrug resistance is tested in cultured cells. Its anticancer effects are evaluated by measuring apoptosis and inhibition of tumor cell proliferation. Antibacterial assays measure its activity against E. coli. Its effect on cell membrane permeability is also studied.
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| Animal Protocol |
In vivo animal experiments for roemerine include toxicity studies where the LD50 in mice is 5079.5 mg/kg (subcutaneous) and 38.8 mg/kg (intravenous). In rabbits, the intravenous LD50 is 26.4 mg/kg. These studies observe effects such as increased excitability, convulsions, and vomiting. Its antidepressant and other pharmacological effects are studied in appropriate animal models.
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| ADME/Pharmacokinetics |
Roemerine has a molecular weight of 279.33 and a molecular formula of C18H17NO2. It is an aporphine-type alkaloid. It is a solid powder with a purity of ≥95%. It is soluble in organic solvents. It should be stored under recommended conditions. Its logP value suggests moderate lipophilicity. Its pharmacokinetic properties are not well characterized but are typical of alkaloids.
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| Toxicity/Toxicokinetics |
The toxicological profile of roemerine shows that it is toxic at high doses. The LD50 in mice is 5079.5 mg/kg (subcutaneous) and 38.8 mg/kg (intravenous). In rabbits, the intravenous LD50 is 26.4 mg/kg. It causes an increase in excitability, convulsions, and vomiting in animal studies. These findings indicate that roemerine has a narrow therapeutic window and should be handled with care.
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| References | |
| Additional Infomation |
Remerin is an isoquinoline alkaloid. It has been reported to exist in Magnolia officinalis, Lythrum salicaria, and other organisms with relevant data. See also: Apriline (note moved to).
Roemerine is a naturally occurring alkaloid with diverse pharmacological activities, including antimicrobial, anticancer, and antidepressant effects. It is an aporphine-type alkaloid isolated from plants such as Fibraurea recisa. It acts as a xanthine oxidase inhibitor and reverses multidrug resistance. Its potential in treating infectious diseases, cancer, and mood disorders makes it a valuable compound for drug discovery. |
| Molecular Formula |
C18H17NO2
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|---|---|
| Molecular Weight |
279.33
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| Exact Mass |
279.126
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| CAS # |
548-08-3
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| PubChem CID |
119204
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| Appearance |
White to off-white solid powder
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| Density |
1.269±0.06 g/cm3 (20 ºC 760 Torr)
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| Melting Point |
102-103 ºC
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| LogP |
3.105
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
21
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| Complexity |
414
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CN1CCC2=CC3=C(C4=C2[C@H]1CC5=CC=CC=C54)OCO3
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| InChi Key |
JCTYWRARKVGOBK-CQSZACIVSA-N
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| InChi Code |
InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3/t14-/m1/s1
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| Chemical Name |
(12R)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene
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| Synonyms |
CCRIS 3809; Roemerin; Roemerine
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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 : ~100 mg/mL (~358.00 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.95 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 (8.95 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 25.0 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (8.95 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.5800 mL | 17.9000 mL | 35.7999 mL | |
| 5 mM | 0.7160 mL | 3.5800 mL | 7.1600 mL | |
| 10 mM | 0.3580 mL | 1.7900 mL | 3.5800 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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