| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
Natural product
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|---|---|
| ln Vitro |
HeLa and HepG2 cell proliferation is inhibited by isobyakangelicol, with IC50 values of 70.04 μM and 17.97 μM, respectively[1]. Angelica dahurica has been frequently used as a food additive and a folk medicinal herb in Asian countries. The aim of this study was to isolate key active compounds from A. dahurica with antioxidant and anticancer activities. Three new furocoumarin dimers and twenty known coumarins were obtained from A. dahurica. Their structures were identified by extensive 1D and 2D NMR, CD, and HR-ESIMS spectroscopic analyses and screened by UPLC-MS/MS. Imperatorin oxypeucedanin hydrate, xanthotoxol, bergaptol, and 5-methoxy-8-hydroxypsoralen exhibited moderate DPPH• scavenging activity and strong ABTS•+ scavenging activity. Isoimperatorin, phelloptorin, and pabularinone showed significant inhibition on HepG2 cells with IC50 values of 8.19, 7.49, and 7.46 µM, respectively. Furthermore, pabularinone also showed moderate inhibition on HeLa cells with an IC50 value of 13.48 µM. These results suggested that A. dahurica could be explored as new and potential natural antioxidants and cancer prevention agents for use in functional foods [1].
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| Enzyme Assay |
Assay of DPPH radical scavenging activity [1]
The DPPH free radical scavenging activity of isolated compounds was determined using the previously reported method with minor modification (Pinela et al., 2012). Briefly, different concentrations (1, 2, 5, 10, and 20 mg/mL) of obtained compounds were further dissolved in ethanol to obtain the following concentrations: 5, 10, 20, 50, 100, and 200 µg/mL. Sample solution was added to DPPH. The content was vortexed for 1 min and incubated in the dark for 30 min at room temperature. After incubation, the absorbance value of all samples was read at 517 nm. The antioxidant activity was measured according to the formula: where Asample was absorbance of sample, Ablank was absorbance of sample blank, and Acontrol was absorbance of the control. EC50 (µg/mL, concentration to scavenge 50% of free radicals) was calculated from the regression equation. All samples were analysed in triplicate using a calibration curve of trolox. Assay of ABTS radical scavenging activity [1] The ABTS decolourisation assay was carried out using the previously reported method with minor modification (Liu et al., 2009). The ABTS radical cation solution was prepared by mixing 7 mM ABTS stock solution and 2.45 mM potassium persulphate and incubated in the dark for 12 h at room temperature. The ABTS radical cation solution was then diluted to obtain an absorbance of 0.70 ± 0.02 at 734 nm. ABTS solution was added to the test samples with various concentrations (1, 5, 10, 20, 50, and 100 µg/mL) and mixed vigorously. The absorbance was measured at 734 nm after 10 min against the corresponding blank. The antioxidant activity was measured according to the formula: where Asample was absorbance of sample, Ablank was absorbance of sample blank, and Acontrol was absorbance of the control. EC50 (µg/mL, concentration to scavenge 50% of free radicals) was calculated from the regression equation. All samples were analysed in triplicate using a calibration curve of trolox. |
| Cell Assay |
Antiproliferative activity assay [1]
The antiproliferative activity assay was performed by the MTT method (Zhu et al., 2011). In brief, HeLa (5 × 104), HepG2 (5 × 104) and MCF-7 (3.4 × 104) cells were placed in 96-well plates, respectively, and incubated for 24 h. Concentrations (5–80 µM) of the compounds (purities > 98%) were added to the well, and then incubated for 96 h. 50 µL of MTT solution was added, and the absorbance at 570 nm was measured with a microplate reader spectrophotometer. 5-Fluorouracil (80 mM/L) was used as the positive control. The results were obtained from three independent experiments carried out in duplicate. The inhibition rate was calculated using the following formula: where Acontrol was absorbance of the control, Asample was absorbance of sample, and Ablank was absorbance of blank. |
| References | |
| Additional Infomation |
Isobyakangelicol belongs to the psoralen class of compounds. It has been reported that Isobyakangelicol is found in Angelica dahurica var. formosana and Murraya koenigii, with relevant data reported. In this study, 23 coumarin compounds were isolated from the ethyl acetate extract of Angelica dahurica root, including three new furanocoumarin dimers, angelastrol A (1), B (2), and C (3), and their in vitro antioxidant and antiproliferative activities were tested for the first time. Compounds 5 and 16-19 showed moderate scavenging activity against DPPH• radicals and strong scavenging activity against ABTS•+ radicals, with compound 16 showing particularly significant scavenging activity against ABTS•+ radicals (EC50 value 6.44 µM). Furthermore, compounds 4-7, 10, 17-19, 21, and 23 showed higher antiproliferative activity against HeLa and HepG2 cells than against MCF-7 cells. Moreover, compounds 4, 6 and 19 significantly inhibited the growth of HepG2 cells, with IC50 values of 8.19, 7.49 and 7.46 µM, respectively. Compound 19 also showed moderate inhibitory effects on the growth of HeLa cells, with an IC50 value of 13.48 µM. UPLC-MS/MS analysis revealed that compounds 4, 5, 16, 17 and 19 were the main components of Plumbago spp. roots. These results indicate that coumarins in Plumbago spp. roots are a new source of natural active compounds that can be used not only as natural antioxidants but also for cancer prevention. It is worth noting that the in vitro bioactivity of these isolated compounds is not necessarily equivalent to their actual beneficial effects in vivo. Therefore, it is necessary to further study the bioactivity of these isolates in vivo to deepen the understanding of their functions. [1]
|
| Molecular Formula |
C17H16O6
|
|---|---|
| Molecular Weight |
316.30534
|
| Exact Mass |
316.095
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| CAS # |
35214-81-4
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| PubChem CID |
5318521
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| Appearance |
Typically exists as solid at room temperature
|
| LogP |
3.151
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| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
23
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| Complexity |
499
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
COc1c2ccoc2c(OCC(=O)C(C)C)c2oc(=O)ccc12
|
| InChi Key |
GYJATVZZLSOXTA-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C17H16O6/c1-9(2)12(18)8-22-17-15-11(6-7-21-15)14(20-3)10-4-5-13(19)23-16(10)17/h4-7,9H,8H2,1-3H3
|
| Chemical Name |
4-methoxy-9-(3-methyl-2-oxobutoxy)furo[3,2-g]chromen-7-one
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| Synonyms |
Isobyakangelicol; Anhydrobyankangelicin; 35214-81-4; Anhydrobyakangelicin; 4-methoxy-9-(3-methyl-2-oxobutoxy)furo[3,2-g]chromen-7-one; 4-methoxy-9-(3-methyl-2-oxobutoxy)furo(3,2-g)chromen-7-one; CHEBI:80792;
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.1615 mL | 15.8073 mL | 31.6146 mL | |
| 5 mM | 0.6323 mL | 3.1615 mL | 6.3229 mL | |
| 10 mM | 0.3161 mL | 1.5807 mL | 3.1615 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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