Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H17NO2 |
| Molecular Weight | 279.3331 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1CCC2=CC3=C(OCO3)C4=C2[C@@H]1CC5=C4C=CC=C5
InChI
InChIKey=JCTYWRARKVGOBK-AWEZNQCLSA-N
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-/m0/s1
Aporeine (Roemerine) is an aporphine alkaloid that can be isolated from many plants such as Annona
senegalensis, Turkish Papaver and Rollinialeptopetala. Aporeine has been reported to exhibit antibacterial activity. It has also been demonstrated to have certain antifungal activity. Aporeine showed selective inhibitory effect on Cox-2.
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL230 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19775092 |
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Target ID: CHEMBL352 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26606133 |
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Target ID: CHEMBL366 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26426004 |
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Target ID: CHEMBL364 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23127648 |
17.9 µM [IC50] |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Primary | Unknown Approved UseUnknown |
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| Primary | Unknown Approved UseUnknown |
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| Primary | Unknown Approved UseUnknown |
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/26606133
After bacterial challenge for 1 h, mice were randomized to receive i.p. injection of Aporeine (Roemerine) at 20 mg/kg once daily for 2 d. The survival rates for roemerine 20 mg/kg was 58.3%, the survival rate of the model group was only 8.3%.
Route of Administration:
Intraperitoneal
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/19775092
Aporeine showed selective inhibitory effect on Cox-2, with inhibitory rate of 94% at 100 uM.
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800239
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9C0X3XW6QA
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m2005
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2030-53-7
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SUBSTANCE RECORD