NVP-BEP800

Alias: VER 82576;NVP BEP800; NVP-BEP 800;VER82576;VER-82576; NVP BEP-800; BEP-800; BEP800; BEP 800.

Cat No.:V0892 Purity: ≥98%

COA Product Data Instructions for use SDS

NVP-BEP800 (VER-82576; NVP BEP-800; BEP-800) is a novel, potent, fully synthetic, orally bioavailable heat shock protein 90β (HSP90β)inhibitor with potential antitumor activity.

NVP-BEP800 Chemical Structure CAS No.: 847559-80-2
Product category: HSP

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

Size	Price	Stock	Qty
1mg
5mg
10mg
25mg
50mg
100mg
250mg
Other Sizes

1-708-310-1919 sales@invivochem.com

Official Supplier of:

Business Relationship with 5000+ Clients Globally
Major Universities, Research Institutions, Biotech & Pharma
Citations by Top Journals: Nature, Cell, Science, etc.

Top Publications Citing lnvivochem Products

Nature 2021, 597(7874):119-125.

Cell 2020,183:1202-1218.e25.

Science Adv 2022: 8, eabm9427.

Nature 597, 119–125 (2021)

Cell Stem Cell 2020,26(6):845-861.e12.

Science Trans Med 2023,15(701):eadd7872.

STTT 2023,8(1):91.

Cell Reports 2023,42(4):112313

Science Trans Med 2023, 15: eadd7872.

Cancer Cell 2021,39(4):529-547.e7.

Cancer Discov 2022,12(4):1106-1127.

Immunity 2023,56(3):620-634.e11.

J Am Chem Soc 2022,144:21831-21836.

Cell 2020,183:1202-1218.e25.

Science Adv 2022:8,eabm9427.

Nature 2021,597(7874):119-125.

Cell 2020,183:1202-1218.e25.

PNAS Nexus 2022,1(3):pgac063.

ACS Nano 2023,17(10):9110-9125.

Biomaterial 2023 Sep16:302:122333.

Purity & Quality Control Documentation

Current batch：

Purity: ≥98%

COA

MSDS

Instructions

Product Description
Bioactivity & Protocols
Physicochemical Properties
Solubility Data
Calculators
Biological Data

Product Description

NVP-BEP800 (VER-82576; NVP BEP-800; BEP-800) is a novel, potent, fully synthetic, orally bioavailable heat shock protein 90β (HSP90β) inhibitor with potential antitumor activity. It inhibits HSP90β with an IC50 of 58 nM. NVP-BEP800 exhibits excellent antitumor efficacy in the A375 melanoma xenograft model.

Biological Activity I Assay Protocols (From Reference)

ln Vitro

Potent and selective Hsp90 inhibitor VER-82576 (NVP-BEP800) has an IC50 of 58 nM for Hsp90β and an IC50 of 4.1 ± 1.1 and 5.5 ± 0.48 μM for Grp94 and Trap-1, respectively, indicating >70-fold selectivity. With an average GI50 of 245 nM and GI50s ranging from 38 nM in A375 cells to 1050 nM in PC3 cells, VER-82576 potently suppresses the growth of tumor cells. Client proteins are depleted in human cancer cell lines in vitro by VER-82576 (250–1250 nM)[1]. VER-82576 (NVP-BEP800; 200 nM) is less hazardous to SNB19 cells and exhibits no discernible influence on the ionizing radiation (IR) dose-response curves of A549 cells. In both A549 and SNB19 cell lines, VER-82576 combined with IR causes more severe DNA damage than either treatment alone. It also delays the kinetics of DNA damage repair in SNB19 cells[2]. VER-82576 (NVP-BEP800; 0.05, 0.1, or 0.2 μM) reduces glioblastoma cell viability and causes apoptosis in a dose-dependent manner. In T98G cells, VER-82576 (0.2 μM) inhibits IKKβ protein expression but does not change IKKβ mRNA levels. Heat shock protein 70 expression is suppressed by VER-82576 at a concentration of 0.2 μM.

ln Vivo

In A375 cancer xenografts and BT-474 xenograft-bearing mice, VER-82576 (NVP-BEP800; 15 or 30 mg/kg, po) exhibits anticancer activities[1].

Animal Protocol

Dissolved in 0.5% methyl cellulose; 50 mg/kg; oral gavage

Female Harlan HsdNpa: Athymic Nude-nu mice injected s.c. with BT-474 or A375 cells

References

[1]. Preclinical antitumor activity of the orally available heat shock protein 90 inhibitor NVP-BEP800. Mol Cancer Ther. 2010 Apr;9(4):906-19.

[2]. Hsp90 Inhibitors NVP-AUY922 and NVP-BEP800 May Exert a Significant Radiosensitization on Tumor Cells along with a Cell Type-Specific Cytotoxicity. Transl Oncol. 2012 Oct;5(5):356-69. Epub 2012 Oct 1.

[3]. Irradiation facilitates the inhibitory effect of the heat shock protein 90 inhibitor NVP-BEP800 on the proliferation of malignant glioblastoma cells through attenuation of the upregulation of heat shock protein 70. Exp Ther Med. 2014 Sep;8(3).

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

Physicochemical Properties

Molecular Formula

C21H23CL2N5O2S

Molecular Weight

480.41

Exact Mass

479.094

CAS #

847559-80-2

Related CAS #

847559-80-2

PubChem CID

25210273

Appearance

White to off-white solid powder

Density

1.4±0.1 g/cm3

Index of Refraction

1.659

LogP

4.29

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Heavy Atom Count

Complexity

614

Defined Atom Stereocenter Count

SMILES

O=C(C1=CC2C(=NC(N)=NC=2C2C(Cl)=CC(Cl)=C(OCCN3CCCC3)C=2)S1)NCC

InChi Key

WJUNQSYQHHIVFX-UHFFFAOYSA-N

InChi Code

InChI=1S/C21H23Cl2N5O2S/c1-2-25-19(29)17-10-13-18(26-21(24)27-20(13)31-17)12-9-16(15(23)11-14(12)22)30-8-7-28-5-3-4-6-28/h9-11H,2-8H2,1H3,(H,25,29)(H2,24,26,27)

Chemical Name

2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide

Synonyms

VER 82576;NVP BEP800; NVP-BEP 800;VER82576;VER-82576; NVP BEP-800; BEP-800; BEP800; BEP 800.

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:15 mg/mL (31.2 mM)

Water:<1 mg/mL

Ethanol:<1 mg/mL

Solubility (In Vivo)

0.5% methylcellulose: 5 mg/mL

(Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.0816 mL	10.4078 mL	20.8156 mL
	5 mM	0.4163 mL	2.0816 mL	4.1631 mL
	10 mM	0.2082 mL	1.0408 mL	2.0816 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

Molecular Weight*

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.

Concentration (Start)

Volume (Start)

Concentration (End)

Volume (End)

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

Total molecular weight

g/mol

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.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration

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

Average weight of animals g

Dosing volume per animal μL

Number of animals

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.)

% DMSO

% Tween 80

% ddH₂O

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.

Biological Data

NVP-BEP800 depletes client proteins in human cancer cell lines in vitro.

Bioavailability and tolerability of NVP-BEP800 in nude mice.Mol Cancer Ther.2010 Apr;9(4):906-19.

Antitumor efficacy, tolerability, and pharmacodynamic effects of NVP-BEP800 in the BT-474 human breast cancer xenograft model.Mol Cancer Ther.2010 Apr;9(4):906-19.