Neobavaisoflavone

Alias: Neobavaisoflavone

Cat No.:V14759 Purity: ≥98%

COA Product Data Instructions for use SDS

Neobavaisoflavone is a naturally occurring flavonoid isolated from the seeds of Psoralea corylifolia with anti-inflammatory, anti-cancer and anti-oxidation activities.

Neobavaisoflavone Chemical Structure CAS No.: 41060-15-5
Product category: DNA(RNA) Synthesis

This product is for research use only, not for human use. We do not sell to patients.

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Product Description
Bioactivity & Protocols
Physicochemical Properties
Solubility Data
Calculators
Clinical Trial Information
Biological Data

Product Description

Neobavaisoflavone is a naturally occurring flavonoid isolated from the seeds of Psoralea corylifolia with anti-inflammatory, anti-cancer and anti-oxidation activities. It has the ability to stop platelet aggregation and DNA polymerase.

Biological Activity I Assay Protocols (From Reference)

Targets	DNA polymerase
ln Vitro	Neobavaisoflavone (1–50 μM; 20 h) reduces the production of NO (ED50=25 μM) and cytokines (ED50s=23.11, 5.03, 5.23, 5.26 and 18.80 μM for IL-1β, IL-6, IL-12p40, IL-12p70 and TNF-α, respectively) in LPS plus IFN-γ-stimulated RAW264.7 macrophages[1]. Neobavaisoflavone (1-100 μM; 30 min) reduces chemiluminescence, with an ED50 of 19.94 μM in activated RAW264.7 cells in PMA-stimulated RAW2647 macrophages[1]. Neobavaisoflavone (1-100 μM); 20 h) is not toxic to RAW264.7 cells and has no effect on their viability[1]. Neobavaisoflavone (20–50 μM; 48 h) inhibits the proliferation of prostate cancer cells by dose-dependently causing cytotoxicity and apoptosis[2]. Neobavaisoflavone (2–8 μM; 7 d) dose-dependently suppresses RANKL-mediated osteoclastogenesis in RAW264.7 cells and bone marrow monocytes (BMMCs) in the early stages[3].
ln Vivo	Neobavaisoflavone (30 mg/kg; i.p. for 6 weeks) reduces bone loss, increases osteogenesis, and inhibits osteoclastogenesis in ovariectomized mice[3].
Animal Protocol	C57BL/6 female mice (8 weeksd; 20-25 g) were removed bilateral ovaries 30 mg/kg I.p. for 6 weeks
References	[1]. Inhibition of inflammatory mediators by neobavaisoflavone in activated RAW264.7 macrophages. Molecules. 2011 May 3;16(5):3701-12. [2]. Enhanced TRAIL-mediated apoptosis in prostate cancer cells by the bioactive compounds neobavaisoflavone and psoralidin isolated from Psoralea corylifolia. Pharmacol Rep. 2011;63(1):139-48. [3]. Neobavaisoflavone inhibits osteoclastogenesis through blocking RANKL signalling-mediated TRAF6 and c-Src recruitment and NF-κB, MAPK and Akt pathways. J Cell Mol Med. 2020 Aug;24(16):9067-9084. [4]. DNA polymerase and topoisomerase II inhibitors from Psoralea corylifolia. J Nat Prod. 1998 Mar;61(3):362-6. [5]. Antiplatelet flavonoids from seeds of Psoralea corylifolia. J Nat Prod. 1996 Jul;59(7):671-2.

These protocols are for reference only. InvivoChem does not independently validate these methods.

Physicochemical Properties

Molecular Formula	C20H18O4
Molecular Weight	322.3545
Exact Mass	322.12
Elemental Analysis	C, 74.52; H, 5.63; O, 19.85
CAS #	41060-15-5
Appearance	Solid powder
SMILES	CC(=CCC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O)C
InChi Key	OBGPEBYHGIUFBN-UHFFFAOYSA-N
InChi Code	InChI=1S/C20H18O4/c1-12(2)3-4-14-9-13(5-8-18(14)22)17-11-24-19-10-15(21)6-7-16(19)20(17)23/h3,5-11,21-22H,4H2,1-2H3
Chemical Name	7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
Synonyms	Neobavaisoflavone
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 Data

Solubility (In Vitro)	DMSO : ≥ 31 mg/mL (~96.2 mM)
Solubility (In Vivo)	Solubility in Formulation 1: ≥ 2.08 mg/mL (6.45 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (6.45 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (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 20.8 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. View More Solubility in Formulation 3: ≥ 2.08 mg/mL (6.45 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 20.8 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.)

Solubility (In Vitro)

DMSO : ≥ 31 mg/mL (~96.2 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (6.45 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.

Solubility in Formulation 2: ≥ 2.08 mg/mL (6.45 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (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 20.8 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.

View More

Solubility in Formulation 3: ≥ 2.08 mg/mL (6.45 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 20.8 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	3.1022 mL	15.5111 mL	31.0222 mL
	5 mM	0.6204 mL	3.1022 mL	6.2044 mL
	10 mM	0.3102 mL	1.5511 mL	3.1022 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.

Calculator

Mass

Concentration

Volume

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Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

Calculate the Mass of a compound required to prepare a solution of known volume and concentration
Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume

See Example

An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?

Enter 350.26 in the Molecular Weight (MW) box
Enter 10 in the Concentration box and choose the correct unit (mM)
Enter 5 in the Volume box and choose the correct unit (mL)
Click the “Calculate” button
The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

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Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:

Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
Enter 25 into the Concentration (End) box and select the correct unit (mM)
Enter 25 into the Volume (End) box and choose the correct unit (mL)
Click the “Calculate” button
The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box

Molecular formula

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Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4 c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:

To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.

Definitions of molecular mass, molecular weight, molar mass and molar weight:

Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.

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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
Click the “Calculate” button
The answer appears in the Volume (to add to vial) box

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)

Dosage mg/kg

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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.

Note： (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.

Clinical Trial Information

NCT Number	Recruitment	interventions	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT02168140	Active Recruiting	Drug: bendamustine hydrochloride Drug: 6,8-bis(benzylthio)octanoic acid	Peripheral T-cell Lymphoma Hepatosplenic T-cell Lymphoma	Wake Forest University Health Sciences	April 2, 2018	Phase 1
NCT03311126	Active Recruiting	Drug: Bendamustine Drug: Obinutuzumab	Mantle Cell Lymphoma Non-hodgkin Lymphoma	University of Wisconsin, Madison	October 19, 2017	Phase 2
NCT04083898	Active Recruiting	Biological: Isatuximab Drug: Bendamustine	Multiple Myeloma	Washington University School of Medicine	April 3, 2020	Phase 1
NCT03872180	Active Recruiting	Drug: Bendamustine Biological: Obinutuzumab	CCND1 Positive Mantle Cell Lymphoma	Emory University	April 11, 2019	Phase 2
NCT03834688	Active Recruiting	Drug: Bendamustine Drug: Venetoclax	Mantle Cell Lymphoma	PrECOG, LLC.	January 13, 2020	Phase 2

Biological Data

Chemical structure of neobavaisoflavone. Molecules . 2011 May 3;16(5):3701-12.
Effect of neobavaisoflavone on NO production in LPS plus IFN-γ– stimulated RAW264.7 macrophages. Molecules . 2011 May 3;16(5):3701-12.
Effect of neobavaisoflavone on chemiluminescence of activated RAW264.7 macrophages. Molecules . 2011 May 3;16(5):3701-12.

Effect of neobavaisoflavone on cytokines production in LPS plus IFN-γ– stimulated RAW264.7 macrophages: (a) IL-1β, (b) IL-6, (c) IL-12p40, (d) IL-12p70, (e) TNF-α. Molecules . 2011 May 3;16(5):3701-12.