Cat. No.: HY-133121

WDR5-IN-1

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WDR5-IN-1 is a potent and selective WD repeat domain 5 (WDR5) inhibitor, with a K_d of <0.02 nM. WDR5-IN-1 inhibits MLL1 histone methyltransferase (HMT) activity with an IC₅₀ of 2.2 nM. WDR5-IN-1 diminishes MYC recruitment at WDR5-displaced genes and exhibits potent anti-proliferative effects in CHP-134 (neuroblastoma) and Ramos (Burkitt’s lymphoma) lines.

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

Purity: 98.0%
CAS No.: 2408842-51-1
Formula: C₃₀H₃₁FN₄O₃
Molecular Weight:514.59

Storage:

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

WDR5-IN-1 Chemical Structure

CAS No.: 2408842-51-1

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Fluorescent Dye

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

Biological Activity
- Description
- Cellular Effect
- In Vitro
Chemical Information
Solvent & Solubility
- In Vitro
- In Vivo
Purity & Documentation
References
Help & FAQs
Classifications
Bioz

Biological Activity

Description

Cellular Effect

Cell Line	Type	Value	Description	References
CHP-134	GI₅₀	0.26 μM Compound: 16	Antiproliferative activity against human CHP134 cells expressing wild type p53 assessed as growth inhibition after 5 days by Celltiter-Glo luminescent assay Antiproliferative activity against human CHP134 cells expressing wild type p53 assessed as growth inhibition after 5 days by Celltiter-Glo luminescent assay	[PMID: 31858797]
Daudi	GI₅₀	0.58 μM Compound: 16	Antiproliferative activity against human Daudi cells expressing mutant p53 assessed as growth inhibition after 5 days by Celltiter-Glo luminescent assay Antiproliferative activity against human Daudi cells expressing mutant p53 assessed as growth inhibition after 5 days by Celltiter-Glo luminescent assay	[PMID: 31858797]
K562	GI₅₀	8 μM Compound: 16	Antiproliferative activity against human K562 cells assessed as growth inhibition after 5 days by CellTiter-Glo luminescent assay Antiproliferative activity against human K562 cells assessed as growth inhibition after 5 days by CellTiter-Glo luminescent assay	[PMID: 31858797]
K562	GI₅₀	8 μM Compound: 1	Anti-proliferative activity against human K562 cells assessed as inhibition of cell proliferation incubated for 5 days by Cell Titre Glo luminescent assay Anti-proliferative activity against human K562 cells assessed as inhibition of cell proliferation incubated for 5 days by Cell Titre Glo luminescent assay	[PMID: 35436124]
K562	GI₅₀	8 μM Compound: 3; C16	Antiproliferative activity against human K562 cells assessed as growth inhibition incubated for 5 days by CellTiter-Glo reagent based assay Antiproliferative activity against human K562 cells assessed as growth inhibition incubated for 5 days by CellTiter-Glo reagent based assay	[PMID: 38085679]
K562	IC₅₀	3.6 μM Compound: WDR5-IN-1	Antiproliferative activity against human K562 cells assessed as cell growth inhibition incubated for 5 days by CCK-8 assay Antiproliferative activity against human K562 cells assessed as cell growth inhibition incubated for 5 days by CCK-8 assay	[PMID: 38166388]
MOLM-13	GI₅₀	78 nM Compound: 16	Antiproliferative activity against human MOLM13 cells expressing wild type p53 assessed as growth inhibition after 5 days by CellTiter-Glo luminescent assay Antiproliferative activity against human MOLM13 cells expressing wild type p53 assessed as growth inhibition after 5 days by CellTiter-Glo luminescent assay	[PMID: 31858797]
MOLM-13	GI₅₀	78 nM Compound: 1	Anti-proliferative activity against human MOLM-13 cells assessed as inhibition of cell proliferation incubated for 5 days by Cell Titre Glo luminescent assay Anti-proliferative activity against human MOLM-13 cells assessed as inhibition of cell proliferation incubated for 5 days by Cell Titre Glo luminescent assay	[PMID: 35436124]
MOLM-13	GI₅₀	78 nM Compound: 3; C16	Antiproliferative activity against human MOLM-13 cells assessed as growth inhibition incubated for 5 days by CellTiter-Glo reagent based assay Antiproliferative activity against human MOLM-13 cells assessed as growth inhibition incubated for 5 days by CellTiter-Glo reagent based assay	[PMID: 38085679]
MV4-11	GI₅₀	38 nM Compound: 16	Antiproliferative activity against human MV4-11 cells expressing wild type p53 assessed as growth inhibition after 5 days by CellTiter-Glo luminescent assay Antiproliferative activity against human MV4-11 cells expressing wild type p53 assessed as growth inhibition after 5 days by CellTiter-Glo luminescent assay	[PMID: 31858797]
MV4-11	GI₅₀	38 nM Compound: 1	Anti-proliferative activity against human MV4-11 cells assessed as inhibition of cell proliferation incubated for 5 days by Cell Titre Glo luminescent assay Anti-proliferative activity against human MV4-11 cells assessed as inhibition of cell proliferation incubated for 5 days by Cell Titre Glo luminescent assay	[PMID: 35436124]
MV4-11	GI₅₀	38 nM Compound: 3; C16	Antiproliferative activity against human MV4-11 cells assessed as growth inhibition incubated for 5 days by CellTiter-Glo reagent based assay Antiproliferative activity against human MV4-11 cells assessed as growth inhibition incubated for 5 days by CellTiter-Glo reagent based assay	[PMID: 38085679]
MV4-11	IC₅₀	0.17 μM Compound: WDR5-IN-1	Antiproliferative activity against human MV4-11 cells harboring MLL-r assessed as cell growth inhibition incubated for 5 days by CCK-8 assay Antiproliferative activity against human MV4-11 cells harboring MLL-r assessed as cell growth inhibition incubated for 5 days by CCK-8 assay	[PMID: 38166388]
Raji	GI₅₀	1.2 μM Compound: 16	Antiproliferative activity against human Raji cells expressing mutant p53 assessed as growth inhibition after 5 days by Celltiter-Glo luminescent assay Antiproliferative activity against human Raji cells expressing mutant p53 assessed as growth inhibition after 5 days by Celltiter-Glo luminescent assay	[PMID: 31858797]
Ramos	GI₅₀	0.49 μM Compound: 16	Antiproliferative activity against human Ramos cells expressing mutant p53 assessed as growth inhibition after 5 days by Celltiter-Glo luminescent assay Antiproliferative activity against human Ramos cells expressing mutant p53 assessed as growth inhibition after 5 days by Celltiter-Glo luminescent assay	[PMID: 31858797]
SW480	GI₅₀	>22 μM Compound: 16	Antiproliferative activity against human SW480 cells assessed as growth inhibition after 5 days by Celltiter-Glo luminescent assay Antiproliferative activity against human SW480 cells assessed as growth inhibition after 5 days by Celltiter-Glo luminescent assay	[PMID: 31858797]
SW-620	GI₅₀	3.2 μM Compound: 16	Antiproliferative activity against human SW620 cells assessed as growth inhibition after 5 days by Celltiter-Glo luminescent assay Antiproliferative activity against human SW620 cells assessed as growth inhibition after 5 days by Celltiter-Glo luminescent assay	[PMID: 31858797]

In Vitro

WDR5-IN-1 (1 μM; 48 hours) shows an apparent decrease in G2M phase cells^[1].
WDR5-IN-1 (0.01-3 μM; 24-48 hours) increases p53 and p21 protein levels^[1]. WDR5-IN-1 shows anti-proliferative activity in MYC-driven cancers (CHP-134, Ramos, Raji, Daudi, SW620, SW480 cells), with GI50s ranging from 0.26-3.2 μM^[1].

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

Cell Cycle Analysis^[1]

Cell Line:

MV4:11 cells
Concentration:

1 µM
Incubation Time:

48 hours
Result:

Showed an approximate 4 fold increased SubG1 cells.

Western Blot Analysis^[1]

Cell Line:

MV4:11 cells
Concentration:

0.01, 0.03, 0.1, 0.3, 1, 3 µM
Incubation Time:

24, 48 hours
Result:

p53 and p21 protein levels started to increase from 8 h post treatment of compound 16 at 300 nM and continued to elevate up to 32 h.

Chemical Information

CAS No. 2408842-51-1
Appearance Solid
Molecular Weight 514.59
Formula C₃₀H₃₁FN₄O₃
Color Light yellow to brown
SMILES

COC1=CC(OC)=CC(CN2C(C(C=C(CN3C(N(C)C=C3)=N)C=C4C5=C(C)C=C(F)C=C5)=C4CC2)=O)=C1
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 : 100 mg/mL (194.33 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

1.9433 mL

9.7165 mL

19.4329 mL

5 mM

0.3887 mL

1.9433 mL

3.8866 mL

10 mM

0.1943 mL

0.9716 mL

1.9433 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.

Molarity Calculator

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

Mass Mass

Concentration Concentration

Volume Volume

Molecular Weight Molecular Weight

Dilution Calculator

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

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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: ≥ 2.5 mg/mL (4.86 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 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.

Protocol 2

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

Solubility: ≥ 2.5 mg/mL (4.86 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, 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

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (274 KB)
SDS (396 KB)
- English - EN (396 KB)
- Français - FR (396 KB)
- Deutsch - DE (396 KB)
- Norwegian - NO (396 KB)
- Español - ES (396 KB)
- Swedish - SV (396 KB)
- Italian - IT (396 KB)
- Korean - KR (396 KB)
- Portuguese - PT (396 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)

References

[1]. Tian J, et al.Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core.J Med Chem. 2020 Jan 23;63(2):656-675. [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	1.9433 mL	9.7165 mL	19.4329 mL	48.5824 mL
	5 mM	0.3887 mL	1.9433 mL	3.8866 mL	9.7165 mL
	10 mM	0.1943 mL	0.9716 mL	1.9433 mL	4.8582 mL
	15 mM	0.1296 mL	0.6478 mL	1.2955 mL	3.2388 mL
	20 mM	0.0972 mL	0.4858 mL	0.9716 mL	2.4291 mL
	25 mM	0.0777 mL	0.3887 mL	0.7773 mL	1.9433 mL
	30 mM	0.0648 mL	0.3239 mL	0.6478 mL	1.6194 mL
	40 mM	0.0486 mL	0.2429 mL	0.4858 mL	1.2146 mL
	50 mM	0.0389 mL	0.1943 mL	0.3887 mL	0.9716 mL
	60 mM	0.0324 mL	0.1619 mL	0.3239 mL	0.8097 mL
	80 mM	0.0243 mL	0.1215 mL	0.2429 mL	0.6073 mL
	100 mM	0.0194 mL	0.0972 mL	0.1943 mL	0.4858 mL

Keywords

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WDR5-IN-1

Anti-Blood Cancer Compound Library

Highly Selective Inhibitors Library

Highly Selective Activators Library

Cell Death Library

Anti-Hematopathy Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

Non-Alcoholic Fatty Liver Disease (NAFLD) Compound Library

High-Throughput Bioactive Compound Library

Posttranslational Modification Library

Epigenetics Compound Library Mini

Apoptosis Compound Library

Epigenetics Compound Library

Anti-Cancer Compound Library

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

WDR5-IN-1

Anti-Blood Cancer Compound Library

Highly Selective Inhibitors Library

Highly Selective Activators Library

Cell Death Library

Anti-Hematopathy Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

Non-Alcoholic Fatty Liver Disease (NAFLD) Compound Library

High-Throughput Bioactive Compound Library

Posttranslational Modification Library

Epigenetics Compound Library Mini

Apoptosis Compound Library

Epigenetics Compound Library

Anti-Cancer Compound Library

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

WDR5-IN-1 Related Classifications

HY-133121 Related Classifications