Art. -Nr.: HY-149086

BPA-B9

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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.

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Reinheit: 98.50%
Formel: C₂₅H₂₆N₄O₂
Molecular Weight:414.50

Speicherung:

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

BPA-B9 Chemical Structure

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Top Publications Citing

Use of MCE Products

Fluorescent Dye

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Biologische Aktivität
- Beschreibung
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Lösungsmittel & Löslichkeit
- In Vitro
- In Vivo
Reinheit & Dokumentation
Verweise
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

IC₅₀ & Target

PARP

Bcl-2

Mcl-1

Alle RAR/RXR Isoform-spezifische Produkte anzeigen :

Alle PARP Isoform-spezifische Produkte anzeigen :

Alle Bcl-2 Family Isoform-spezifische Produkte anzeigen :

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]
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]
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]
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]
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]
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

Chemical Information

Appearance Solid
Molecular Weight 414.50
Formel C₂₅H₂₆N₄O₂
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
Versand

Room temperature in continental US; may vary elsewhere.

Speicherung

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

Lösungsmittel & Löslichkeit

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)

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

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

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.

Molaritätsrechner

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

Mass Mass

Konzentration Konzentration

Volumen Volumen

Molecular Weight Molecular Weight

Verdünnungsrechner

Konzentration _{(Stammlösung)} × Volumen _{(Stammlösung)} = Konzentration _{(Ziellösung)} × Volumen _{(Ziellösung)}

Konzentration _{(Stammlösung)} Konzentration _{(Stammlösung)}

Volumen _{(Stammlösung)} Volumen _{(Stammlösung)}

Konzentration _{(Ziellösung)} Konzentration _{(Ziellösung)}

Volumen _{(Ziellösung)} Volumen _{(Ziellösung)}

In Vivo:

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

Stock Solution Working Solution

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.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

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

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

Please enter your animal formula composition:

%
DMSO +

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
%
+
+
%
Tween-80 + +
%
Saline +

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).

Working solution concentration: 0.22 mg/mL

Reinheit & Dokumentation

Select Batch:

Reinheit: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (276 KB)
SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
- Norwegian - NO (252 KB)
- Español - ES (252 KB)
- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Korean - KR (252 KB)
- Portuguese - PT (252 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

Verweise

[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]

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

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.

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

Keywords

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BPA-B9

Bioactive Compound Library Max

Bioactive Compound Library

Apoptosis Compound Library

Cell Cycle/DNA Damage Compound Library

Epigenetics Compound Library

Metabolism/Protease Compound Library

Anti-Cancer Compound Library

Anti-Aging Compound Library

Covalent Screening Library

Anti-Breast Cancer Compound Library

Anti-Pancreatic Cancer Compound Library

Anti-Blood Cancer Compound Library

Anti-Parkinson's Disease Compound Library

Neurodegenerative Disease-related Compound Library

Mitochondria-Targeted Compound Library

Transcription Factor-Targeted Library

Protein-protein Interaction Inhibitor Library

Anti-Prostate Cancer Compound Library

Nuclear Receptor Compound Library

Metabolic Enzyme Compound Library

Cell Death Library

Anti-Hematopathy Compound Library

Anti-Ovarian Cancer Compound Library

Multi-Target Compound Library

Mitophagy Compound Library

MCE Bioactive Compound Library

Covalent Screening Library Plus

Non-Alcoholic Fatty Liver Disease (NAFLD) Compound Library

High-Throughput Bioactive Compound Library

Alle RAR/RXR Isoform-spezifische Produkte anzeigen

Alle PARP Isoform-spezifische Produkte anzeigen

Alle Bcl-2 Family Isoform-spezifische Produkte anzeigen

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

BPA-B9

Bioactive Compound Library Max

Bioactive Compound Library

Apoptosis Compound Library

Cell Cycle/DNA Damage Compound Library

Epigenetics Compound Library

Metabolism/Protease Compound Library

Anti-Cancer Compound Library

Anti-Aging Compound Library

Covalent Screening Library

Anti-Breast Cancer Compound Library

Anti-Pancreatic Cancer Compound Library

Anti-Blood Cancer Compound Library

Anti-Parkinson's Disease Compound Library

Neurodegenerative Disease-related Compound Library

Mitochondria-Targeted Compound Library

Transcription Factor-Targeted Library

Protein-protein Interaction Inhibitor Library

Anti-Prostate Cancer Compound Library

Nuclear Receptor Compound Library

Metabolic Enzyme Compound Library

Cell Death Library

Anti-Hematopathy Compound Library

Anti-Ovarian Cancer Compound Library

Multi-Target Compound Library

Mitophagy Compound Library

MCE Bioactive Compound Library

Covalent Screening Library Plus

Non-Alcoholic Fatty Liver Disease (NAFLD) Compound Library

High-Throughput Bioactive Compound Library

Alle RAR/RXR Isoform-spezifische Produkte anzeigen

Alle PARP Isoform-spezifische Produkte anzeigen

Alle Bcl-2 Family Isoform-spezifische Produkte anzeigen

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

BPA-B9 Related Classifications

HY-149086 Related Classifications