Berberal
From DrugPedia: A Wikipedia for Drug discovery
| Berberal
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| ChemSpider | |
| Chemical data | |
| Formula | C40H36N2O12S |
| Mol. mass | 768.78504 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
[edit] Description
An alkaloid with weak antibiotic properties. Substrate for MDR efflux pumps. Antimicrobial activities of berberine is potentiated by the MDR inhibitor 5´-methoxyhydnocarpin (5´-MHC). Berberine upregulates the expression of Pgp in hepatoma cells. Treatment with berberine potentially results in the reduced accumulation of chemotherapeutic drugs.
[edit] General Properties
*Molecular Weight
768.78504
*Molecular Formula
C40H36N2O12S
*IUPAC NAME
N/A
*Canonical Smiles
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.COC1=C(C2=C[N+] 3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[O-]S(=O)(=O)[O-]
*Isomeric Smiles
N/A
*XLogP
N/A
*Topological Polar Surface Area
162
Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 26400ug/kg (26.4mg/kg) Drugs in Japan Vol. 6, Pg. 770, 1982.
mouse LD50 intravenous 8200ug/kg (8.2mg/kg) Drugs in Japan Vol. 6, Pg. 770, 1982.
mouse LD50 subcutaneous 13200ug/kg (13.2mg/kg) Drugs in Japan Vol. 6, Pg. 770, 1982.
frog LDLo subcutaneous 20mg/kg (20mg/kg) "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
