| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
CaM (calmodulin)
|
|---|---|
| ln Vitro |
The interaction of the berbamine compound E6 and calmodulin (CaM)-dependent myosin light chain kinase (MLCK) has been studied. The experimental results showed that the inhibition of MLCK activity was increased with increasing amounts of E6 and was overcome completely by the addition of excessive CaM. The stimulatory activity of MLCK induced by CaM was gradually inhibited by the increasing concentrations of compound E6, showing that the inhibition of MLCK activity by compound E6 was concentration dependent; and the Ki was 0.95 microM. Compound E6 diminished the fluorescence intensity of dansyl-labeled CaM and the intensity was increased gradually by the addition of different amounts of CaM. Compound E6 had no effect on the activity of MLCK fragments produced by limited trypsinization, and it is a novel and considerably potent calmodulin antagonist.[1]
|
| References | |
| Additional Infomation |
Our previous research showed that berberine, a natural compound derived from the traditional Chinese medicine Berberis amurensis, can selectively induce apoptosis in imatinib (IM)-resistant K562 cell lines and Bcr/Abl-positive leukemia cells from patients with chronic myeloid leukemia (CML). In this study, we synthesized a series of novel berberine derivatives. These compounds exhibited high to extremely high activity in vitro. Compounds 2e, 2g, 3f, 3k, 3q, and 3u showed consistently high antitumor activity against imatinib-resistant K562 leukemia cells. Their IC50 values at 48 hours ranged from 0.36 to 0.55 μM, while the IC50 value of berberine was 8.9 μM. Cell cycle analysis results indicated that compound 3h reduced the proportion of cells in the G0/G1 phase. In particular, these compounds exhibited potent inhibition of the translocation of NF-κB p65 from the cytoplasm to the nucleus, and NF-κB p65 plays a crucial role in the survival of leukemia stem cells. These results suggest that berberine may be a good starting point for developing novel lead compounds to combat leukemia. [2]
|
| Molecular Formula |
C44H43N3O9
|
|---|---|
| Molecular Weight |
757.83
|
| Exact Mass |
757.2999
|
| CAS # |
114784-59-7
|
| PubChem CID |
6610268
|
| Appearance |
Typically exists as solid at room temperature
|
| Density |
1.3±0.1 g/cm3
|
| Index of Refraction |
1.613
|
| LogP |
7.6
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
11
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
56
|
| Complexity |
1320
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
O1C2C(=CC3CCN(C)[C@@H](CC4C=CC(=CC=4)OC4C(=CC=C(C=4)C[C@@H]4C5C1=C(C(=CC=5CCN4C)OC)OC)OC(C1C=CC(=CC=1)[N+](=O)[O-])=O)C=3C=2)OC
|
| InChi Key |
PUAVTDKYTXNVBU-OIDHKYIRSA-N
|
| InChi Code |
InChI=1S/C44H43N3O9/c1-45-18-16-29-23-37(51-3)39-25-33(29)34(45)20-26-6-13-32(14-7-26)54-38-22-27(8-15-36(38)56-44(48)28-9-11-31(12-10-28)47(49)50)21-35-41-30(17-19-46(35)2)24-40(52-4)42(53-5)43(41)55-39/h6-15,22-25,34-35H,16-21H2,1-5H3/t34-,35+/m0/s1
|
| Chemical Name |
[(1S,14R)-20,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-9-yl] 4-nitrobenzoate
|
| Synonyms |
E6 berbamine; 114784-59-7; CHEMBL405686; [(1S,14R)-20,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-9-yl] 4-nitrobenzoate; 3,4,4aS,5,16aR,17,18,19-octahydro-21,22,26-trimethoxy-4,17-dimethyl-16H-1,24:6,9-dietheno-11,15-metheno-2H-pyrido[2',3':17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolin-12-ol-4-nitrobenzoate; Bio1_000778; Calmodulin inhibitor; CBiol_002003;
|
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.3196 mL | 6.5978 mL | 13.1956 mL | |
| 5 mM | 0.2639 mL | 1.3196 mL | 2.6391 mL | |
| 10 mM | 0.1320 mL | 0.6598 mL | 1.3196 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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