BPA-B9

Name: BPA-B9
Brand: MedChemExpress
SKU: HY-149086
Rating: 4.5 (0 reviews)

Cat. No.: HY-149086 Purity: 98.50%: Data Sheet
COA

SDS
Handling Instructions
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BPA-B9 is a RXRα ligand and antagonist targeting the pRXRα-PLK1 interaction. BPA-B9 has excellent RXRα-binding affinity (K_D=39.29 ± 1.12 nM). BPA-B9 inhibits the proliferation of cancer cells by inducing mitotic arrest and cell apoptosis.

For research use only. We do not sell to patients.

BPA-B9 Chemical Structure

Size	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	In-stock	Estimated Time of Arrival: December 31
10 mg	In-stock	Estimated Time of Arrival: December 31
25 mg	In-stock	Estimated Time of Arrival: December 31
50 mg	In-stock	Estimated Time of Arrival: December 31
100 mg	Get quote
200 mg	Get quote

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Based on 1 Customer Validation

Featured Recommendations

•Related Screening Libraries:

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View All RAR/RXR Isoform Specific Products:

View All Isoforms

RXRα RXRβ RXRγ

View All PARP Isoform Specific Products:

View All Isoforms

PARP PARP1 PARP2 PARP3 PARP4 TNKS1/PARP5A TNKS2/PARP5B PARP7 PARP10 PARP14 PARP15 PARP12 PARP16

View All Bcl-2 Family Isoform Specific Products:

View All Isoforms

Bcl-2 Bcl-xL Bcl-W Mcl-1 Bfl-1 Bcl-B Bax Bak Bim BNIP3 Bad

Biological Activity
Purity & Documentation
References
Customer Review

Description

IC₅₀ & Target

PARP

Bcl-2

Mcl-1

Cellular Effect

Cell Line	Type	Value	Description	References
A549	IC₅₀	0.196 μM Compound: B9; BPA-B9	Antiproliferative activity against wild type human A549 cells assessed as inhibition of cell growth incubated for 72 hrs by MTT assay Antiproliferative activity against wild type human A549 cells assessed as inhibition of cell growth incubated for 72 hrs by MTT assay	[PMID: 37058970]
A549	IC₅₀	0.201 μM Compound: B9; BPA-B9	Antiproliferative activity against human A549 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Antiproliferative activity against human A549 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 37058970]
A549	IC₅₀	3.362 μM Compound: B9; BPA-B9	Antiproliferative activity against RXRalpha knockout human A549 cells assessed as inhibition of cell growth incubated for 72 hrs by MTT assay Antiproliferative activity against RXRalpha knockout human A549 cells assessed as inhibition of cell growth incubated for 72 hrs by MTT assay	[PMID: 37058970]
HCC1937	IC₅₀	0.561 μM Compound: B9; BPA-B9	Antiproliferative activity against human HCC1937 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Antiproliferative activity against human HCC1937 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 37058970]
HK-2	IC₅₀	0.372 μM Compound: B9; BPA-B9	Cytotoxicity against HK-2 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Cytotoxicity against HK-2 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 37058970]
HaCaT	IC₅₀	0.051 μM Compound: B9; BPA-B9	Cytotoxicity against human HaCaT cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Cytotoxicity against human HaCaT cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 37058970]
HeLa	IC₅₀	0.077 μM Compound: B9; BPA-B9	Antiproliferative activity against human HeLa cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Antiproliferative activity against human HeLa cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 37058970]
HepG2	IC₅₀	0.128 μM Compound: B9; BPA-B9	Antiproliferative activity against human HepG2 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Antiproliferative activity against human HepG2 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 37058970]
L02	IC₅₀	0.064 μM Compound: B9; BPA-B9	Cytotoxicity against human L02 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Cytotoxicity against human L02 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 37058970]
MCF-10A	IC₅₀	18.58 μM Compound: B9; BPA-B9	Cytotoxicity against human MCF-10A cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Cytotoxicity against human MCF-10A cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 37058970]
MCF7	IC₅₀	2.344 μM Compound: B9; BPA-B9	Antiproliferative activity against human MCF7 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Antiproliferative activity against human MCF7 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 37058970]
MDA-MB-231	IC₅₀	0.016 μM Compound: B9; BPA-B9	Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 37058970]
NCI-H460	IC₅₀	0.253 μM Compound: B9; BPA-B9	Antiproliferative activity against human NCI-H460 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Antiproliferative activity against human NCI-H460 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 37058970]

In Vitro

BPA-B9 (0-250 nM, 24 h) induces a dose-dependent increase of apoptotic cells in MDA-MB-231 cells^[1].
BPA-B9 (0-125 nM, 12 h) inhibits the cell cycle of A549 in the G2/M phase^[1].
BPA-B9 (0-500 nM, 0-24 h) induces a dose- and time-dependent increase in the expression of cleaved PARP, and anti-apoptosis proteins Bcl-2 and Mcl-1 were reduced dose-dependently^[1].
BPA-B9 shows excellent anti-proliferative activity against TNBC cell line MDA-MB-231 (IC₅₀=16 ± 3 nM, SI > 3), and displays potent activities against HCC1937, A549, H460, HepG2, and HeLa cells with IC₅₀ values of 0.561 μM, 0.201 μM, 0.253 μM, 0.128 μM, and 0.077 μM, respectively^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Apoptosis Analysis^[1]

Cell Line:	MDA-MB-231 cells and A549 cells
Concentration:	0, 31.25, 62.50, 125, and 250 nM
Incubation Time:	24 h
Result:	Induced a dose-dependent t (0, 31.25, 62.50, 125, and 250 nM) increase (7.96, 16.94, 28.30, 30.40, 40.40%) of apoptotic cells in MDA-MB-231 cells.

Cell Cycle Analysis^[1]

Cell Line:	MDA-MB-231 cells and A549 cells
Concentration:	0, 15.625, 31.25, 62.50, and 125 nM
Incubation Time:	12 h
Result:	Inhibited the cell cycle of A549 in the G2/M phase. After incubation with BPA-B9 at 62.50 nM and 125 nM, the percentage of A549 cells in the G2/M phase reached 12.89% and 46.49%, respectively, compared to 8.62% in untreated cells.

Western Blot Analysis^[1]

Cell Line:	MDA-MB-231 cells
Concentration:	0, 7.8, 31.3, 125, and 500 nM
Incubation Time:	0, 1, 3, 6, 8, 10, 12, 16, and 24 h
Result:	Induced a time-dependent increase in the expression of cleaved PARP. Moreover, cleaved PARP was elevated, and anti-apoptosis proteins Bcl-2 and Mcl-1 were reduced dose-dependently.

In Vivo

BPA-B9 (0-25 mg/kg, IP, once every day for 15 days) has significant anticancer efficacy in vivo with no considerable side effects^[1].
BPA-B9 (25 mg/kg, IP or PO, once) displays better pharmacokinetics than the lead XS-060 (HY-149085)^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model:	BALB/c mice (aged 4-6 weeks, with injection of MDA-MB-231 cells)^[1]
Dosage:	0, 12.5, 25 mg/kg
Administration:	IP, once every day for 15 days
Result:	Inhibited tumor growth by causing mitotic arrest, chromosome aberrations, and DNA-damage response. Significantly reduced the tumor volume and the tumor growth inhibition (TGI) of BPA-B9 was 59.3% at a dosage of 25.0 mg/kg/day, but a slight difference was shown at the dose of 12.5 mg/kg/day with no statistical significance.

Animal Model:

Sprague-Dawley rats (10-14 weeks, 200-220g)^[1]

Dosage:

25 mg/kg

Administration:

Oral absorption (p.o.) and intraperitoneal injection (i.p.), once, (Pharmacokinetic Analysis)

Result:

The oral absorption of BPA-B9 is very poor, while intraperitoneal injection displayed good absorption.
Pharmacokinetic Parameters of XS-060 in Sprague-Dawley rats^[1].

	BPA-B9 25 mg/kg (i.p.)
T_max (h)	0.14 ± 0.10
C_max (μg/L)	8083.33 ± 1193.04
AUC_0-∞ (μg⋅h/L)	14615.65 ± 5508.77
T_1/2 (h)	2.23 ± 0.17
CLz/F (L/(h⋅kg))	1.55 ± 0.73
Vd, z/F (L/kg)	5.15 ± 2.78

Molecular Weight

414.50

Formula

C₂₅H₂₆N₄O₂

Appearance

Solid

Color

Off-white to light yellow

SMILES

O=C(NC1=NC=CC(C2=CC(N3CCC(CC3)CO)=NC=C2)=C1)/C=C/C4=CC=CC=C4

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 200 mg/mL (482.51 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	2.4125 mL	12.0627 mL	24.1255 mL
5 mM	0.4825 mL	2.4125 mL	4.8251 mL
10 mM	0.2413 mL	1.2063 mL	2.4125 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 5 mg/mL (12.06 mM); Clear solution

This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 98.50%

Select Batch:

Data Sheet (276 KB) SDS (252 KB)

COA (243 KB) HNMR (148 KB) RP-HPLC (170 KB) LCMS (106 KB)

Handling Instructions (2659 KB)

References

[1]. Chen J, et al. Discovery of bipyridine amide derivatives targeting pRXRα-PLK1 interaction for anticancer therapy. Eur J Med Chem. 2023 Apr 6;254:115341. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	2.4125 mL	12.0627 mL	24.1255 mL	60.3136 mL
	5 mM	0.4825 mL	2.4125 mL	4.8251 mL	12.0627 mL
	10 mM	0.2413 mL	1.2063 mL	2.4125 mL	6.0314 mL
	15 mM	0.1608 mL	0.8042 mL	1.6084 mL	4.0209 mL
	20 mM	0.1206 mL	0.6031 mL	1.2063 mL	3.0157 mL
	25 mM	0.0965 mL	0.4825 mL	0.9650 mL	2.4125 mL
	30 mM	0.0804 mL	0.4021 mL	0.8042 mL	2.0105 mL
	40 mM	0.0603 mL	0.3016 mL	0.6031 mL	1.5078 mL
	50 mM	0.0483 mL	0.2413 mL	0.4825 mL	1.2063 mL
	60 mM	0.0402 mL	0.2010 mL	0.4021 mL	1.0052 mL
	80 mM	0.0302 mL	0.1508 mL	0.3016 mL	0.7539 mL
	100 mM	0.0241 mL	0.1206 mL	0.2413 mL	0.6031 mL

BPA-B9 Related Classifications

Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

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BPA-B9

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BPA-B9 Related Antibodies

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BPA-B9 Related Antibodies

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Complete Stock Solution Preparation Table

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