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Bergamottin

Cat No.:V29471 Purity: ≥98%
Bergamottin is a potent competitive CYP1A1 inhibitor (antagonist) with Ki of 10.703 nM.
Bergamottin
Bergamottin Chemical Structure CAS No.: 7380-40-7
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
5mg
10mg
Other Sizes
Official Supplier of:
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Product Description
Bergamottin is a potent competitive CYP1A1 inhibitor (antagonist) with Ki of 10.703 nM.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
Bergamot is a competitive inhibitor of CYP1A1. Bergamotin inhibits CYP1A1, CYP1A2, CYP2B1 and CYP2B2, with IC50 of 0.192±0.029 μM, 5.077±0.31 μM, 9.495±0.979 μM, and 4.535±0.092 μM correspondingly [1]. Bergamot has powerful antiproliferative effects on A549 cells. Bergamot displayed concentration- and time-dependent growth inhibitory effects on these cells. Bergamot also suppresses the clonogenic activity of A549 cancer cells by lowering the amount of cancer colony-forming cells. Bergamot concentration-dependence also leads to a reduction in clonogenicity [2].
ln Vivo
A total of 20 female BALB/c nude mice were employed to assess the anticancer efficaciousness of bergamot in vivo. Mice were given injections of 1×106 cells/mouse of non-small cell lung carcinoma A549, which caused tumors. Mice were slaughtered when the tumors formed, the tumors were excised, and the volume and weight of the tumors were determined. According to the findings, the tumor weight decreased from 1.61 g in the PBS-treated group (control group) to 1.21, 0.42, and 0.15 g, respectively, after injections of 25, 50, and 100 mg/kg of bergamot. The tumor weight of nude mice in the bergamot group with the highest dose (100 mg/kg body weight) dropped more considerably (P<0.05) than the vehicle group. Similarly, the tumor volume in the PBS-treated group (control group) was decreased from 2.2 cm3 to 1.71, 1.1, and 0.51 cm3 by injections of 25, 50, and 100 mg/kg bergamot. Frequent measurements of the transplanted tumor volume revealed that the tumor volume of nude mice in the highest dose bergamot group (100 mg/kg body weight) was significantly (P<0.05) lower than that of the vehicle group [2].
References

[1]. Bergamottin is a competitive inhibitor of CYP1A1 and is antimutagenic in the Ames test. Food Chem Toxicol. 2012 Sep;50(9):3094-9.

[2]. Bergamottin isolated from Citrus bergamia exerts in vitro and in vivo antitumor activity in lung adenocarcinoma through the induction of apoptosis, cell cycle arrest, mitochondrial membrane potential loss and inhibition of cell migration and invasion. Oncol Rep. 2016 Jul;36(1):324-32.

Additional Infomation
Bergomottin is a furanocoumarin. It has a role as a metabolite.
Bergamottin has been reported in Angelica dahurica var. formosana, Citrus hassaku, and other organisms with data available.
See also: Lime (Citrus) (part of).
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C21H22O4
Molecular Weight
338.3970
Exact Mass
338.151
CAS #
7380-40-7
PubChem CID
5471349
Appearance
White to off-white solid powder
Density
1.2±0.1 g/cm3
Boiling Point
503.7±50.0 °C at 760 mmHg
Melting Point
75-80ºC
Flash Point
258.4±30.1 °C
Vapour Pressure
0.0±1.3 mmHg at 25°C
Index of Refraction
1.583
LogP
5.92
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
6
Heavy Atom Count
25
Complexity
570
Defined Atom Stereocenter Count
0
SMILES
CC(=CCC/C(=C/COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/C)C
InChi Key
DBMJZOMNXBSRED-OQLLNIDSSA-N
InChi Code
InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
Chemical Name
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
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

Note: This product requires protection from light (avoid light exposure) during transportation and storage.
Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO : ~50 mg/mL (~147.75 mM)
Solubility (In Vivo)
Solubility in Formulation 1: 2.5 mg/mL (7.39 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
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.

Solubility in Formulation 2: ≥ 2.5 mg/mL (7.39 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.9551 mL 14.7754 mL 29.5508 mL
5 mM 0.5910 mL 2.9551 mL 5.9102 mL
10 mM 0.2955 mL 1.4775 mL 2.9551 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.

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What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
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g/mol

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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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