Art. -Nr.: HY-149091

KDM5B-IN-4

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KDM5B-IN-4 (compound 11ad) is a lysine demethylase 5B (KDM5B) inhibitor with an IC₅₀ of 0.025 μM KDM5B-IN-4 increases substrate H3K4me1/2/3 level by inhibiting KDM5B in PC-3 cells. KDM5B-IN-4 downregulates PI3K/AKT. KDM5B-IN-4 reduces tumor volume in mice and shows less toxic to organs.

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Reinheit: 99.68%
CAS. Nr.: 3046228-11-6
Formel: C₃₀H₃₀N₆O
Molecular Weight:490.60

Speicherung:

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

KDM5B-IN-4 Chemical Structure

CAS. Nr.: 3046228-11-6

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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

IC 50: 0.025 μM (Lysine demethylase 5B, KDM5B)^[1].

Alle Histone Demethylase Isoform-spezifische Produkte anzeigen :

Cellular Effect

Cell Line	Type	Value	Description	References
DU-145	IC₅₀	9.532 μM Compound: 11ad	Antiproliferative activity against human DU-145 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Antiproliferative activity against human DU-145 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 36931124]
HepG2	IC₅₀	5.76 μM Compound: 11ad	Antitumor activity against human HepG2 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Antitumor activity against human HepG2 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 36931124]
LNCaP	IC₅₀	4.34 μM Compound: 11ad	Antiproliferative activity against human LNCaP cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Antiproliferative activity against human LNCaP cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 36931124]
MCF7	IC₅₀	6.77 μM Compound: 11ad	Antitumor activity against human MCF7 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Antitumor activity against human MCF7 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 36931124]
MGC-803	IC₅₀	6.09 μM Compound: 11ad	Antitumor activity against human MGC-803 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Antitumor activity against human MGC-803 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 36931124]
PC-3	IC₅₀	2.18 μM Compound: 11ad	Antitumor activity against human PC-3 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Antitumor activity against human PC-3 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 36931124]

In Vitro

KDM5B-IN-4 (20 μM, 72 h) has targeted inhibition of KDM5B and induction of H3K4me1/2/3 production in PC-3 cells^[1].
KDM5B-IN-4 (0-20 μM; 72 h) not only targets KDM5B in cells, but also induces H3K4me1/2/3 accumulation in PC-3 cells^[1].
KDM5B-IN-4 (0-10 μM, 0-24 h) inhibited the proliferation and migration of prostate cancer cells, blocked the PC-3 cycle in the G2/M phase, and induced apoptosis of PC-3 cells to a certain extent^[1].

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

Western Blot Analysis^[1]

Cell Line:

PC-3
Concentration:

0, 2.5, 5, 10, 20 μM
Incubation Time:

72 h
Result:

Induced the concentrations of H3K4me1/2/3 significantly different from those of the control, and the results obtained were similar to those obtained using the CPI-455 positive control.
Had no significant effect on P110α, P85, and pAKT at low concentration levels (0-10μM), and P110α, P85, and pAKT were significantly decreased when 11ad was at high concentration (20 μM).

Cell Migration Assay ^[1]

Cell Line:

PC-3
Concentration:

0, 5, 10 μM
Incubation Time:

0, 6, 12, 24 h
Result:

Inhibited colony formation in a dosedependent manner, especially at high doses (10 μM).

Cell Cycle Analysis^[1]

Cell Line:

PC-3
Concentration:

0, 2.5, 5, 10 μM
Incubation Time:

24 h
Result:

Blocked the cell cycle at G2/M phase in 10 μM.

Apoptosis Analysis^[1]

Cell Line:

PC-3
Concentration:

0, 2.5, 5, 10 μM
Incubation Time:

24 h
Result:

Induced PC-3 cell apoptosis in a dose-dependent manner (7.58%, 26.14%, 28.20%, 45.66%).

In Vivo

KDM5B-IN-4 (50 mg/kg, i.g., 50 mg/kg/d, 13 days) treatment at 50 mg/kg was slightly better than the efficacy of DOX^[1].
KDM5B-IN-4 (50 mg/kg, i.g., 50 mg/kg/d, 25 days) did not cause noticeable damage to the mice, confirming that 11ad had no significant toxicity or side effects in vivo^[1].
Pharmacokinetic Analysis in KDM5B-IN-4 (compound 11ad) Xenograft Model^[1]

Parameter	T_1/2 (h)	T_max (h)	C_max (ng/mL)	AUC_0-t (h*ng/mL)	MRT_0-t (h)	V_z (L/kg)	Cl (L h/kg)	F
p.o. (25mg/kg)	5.30	6.0	411.67	3024.33	6.90	/	/	20.28%
i.v. (5mg/kg)	2.95	0.083	551.67	44437.67	10.29	19.51	0.49	/

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

Animal Model:

PC-3 xenograft model in male Spraguee-Dawley rats^[1].
Dosage:

25, 50 mg/kg
Administration:

Intragastric administration to mice (i.g.) for 25 days, administered once daily.
Result:

Compared with NaCl treatment, treatment with 25 mg/kg and 50 mg/kg significantly decreased tumor volume.

Animal Model:

PC-3 xenograft model in male Spraguee-Dawley rats^[1].
Dosage:

2 g/kg
Administration:

Intragastric administration to mice (i.g.) for 14 days, administered once daily.
Result:

No significant loss of major organs in the high-dose and low-dose groups.

Chemical Information

CAS. Nr. 3046228-11-6
Appearance Solid
Molecular Weight 490.60
Formel C₃₀H₃₀N₆O
Color White to off-white
SMILES

CN1CCN(CC1)CCNC(C2=CC(C3=CC=C4C=CC=CC4=C3)=NC5=C2C=NN5C6=CC=CC=C6)=O
Versand

Room temperature in continental US; may vary elsewhere.

Speicherung

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

Lösungsmittel & Löslichkeit

In Vitro:

DMSO : 33.33 mg/mL (67.94 mM; ultrasonic and adjust pH to 2 with 1 M HCl; 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

2.0383 mL

10.1916 mL

20.3832 mL

5 mM

0.4077 mL

2.0383 mL

4.0766 mL

10 mM

0.2038 mL

1.0192 mL

2.0383 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: ≥ 3.33 mg/mL (6.79 mM); Clear solution

This protocol yields a clear solution of ≥ 3.33 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (33.3 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.

Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)

Solubility: ≥ 3.33 mg/mL (6.79 mM); Clear solution

This protocol yields a clear solution of ≥ 3.33 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (33.3 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.

Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil

Solubility: ≥ 3.33 mg/mL (6.79 mM); Clear solution

This protocol yields a clear solution of ≥ 3.33 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (33.3 mg/mL) to 900 μL Corn oil, and mix evenly.

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 (281 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]. Cao Y, et al. Discovery of a novel 1H-pyrazole- [3,4-b] pyridine-based lysine demethylase 5B inhibitor with potential anti-prostate cancer activity that perturbs the phosphoinositide 3-kinase/AKT pathway. Eur J Med Chem. 2023 May 5;251:115250. [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	2.0383 mL	10.1916 mL	20.3832 mL	50.9580 mL
	5 mM	0.4077 mL	2.0383 mL	4.0766 mL	10.1916 mL
	10 mM	0.2038 mL	1.0192 mL	2.0383 mL	5.0958 mL
	15 mM	0.1359 mL	0.6794 mL	1.3589 mL	3.3972 mL
	20 mM	0.1019 mL	0.5096 mL	1.0192 mL	2.5479 mL
	25 mM	0.0815 mL	0.4077 mL	0.8153 mL	2.0383 mL
	30 mM	0.0679 mL	0.3397 mL	0.6794 mL	1.6986 mL
	40 mM	0.0510 mL	0.2548 mL	0.5096 mL	1.2740 mL
	50 mM	0.0408 mL	0.2038 mL	0.4077 mL	1.0192 mL
	60 mM	0.0340 mL	0.1699 mL	0.3397 mL	0.8493 mL

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KDM5B-IN-4

MCE Bioactive Compound Library

Alle Histone Demethylase Isoform-spezifische Produkte anzeigen

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

KDM5B-IN-4 Related Classifications

HY-149091 Related Classifications