ALKBH1-IN-3 prodrug

Name: ALKBH1-IN-3 prodrug
Brand: MedChemExpress
SKU: HY-169131
Rating: 4.5 (1 reviews)

Cat. No.: HY-169131 Purity: 99.15%: Data Sheet
COA

SDS
Handling Instructions
FAQs
Technical Support

ALKBH1-IN-4 prodrug (Compound 29E) is a prodrug of a DNA N6-methyladenine demethylase ALKBH1 inhibitor that significantly increases the abundance of 6mA in cells and upregulates the AMPK signaling pathway, thereby inhibiting the viability of gastric cancer cells. ALKBH1-IN-4 prodrug exhibits excellent cellular activity and favorable metabolic exposure in vivo, and holds promise for research in gastric cancer.

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

ALKBH1-IN-3 prodrug Chemical Structure

CAS No. : 3056005-98-9

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	Get quote
100 mg	Get quote

or Bulk Inquiry

* Please select Quantity before adding items.

This product is a controlled substance and not for sale in your territory.

Customer Review

Based on 1 publication(s) in Google Scholar

Featured Recommendations

•Related Screening Libraries:

•Related Small Molecules:

•Related Proteins:

View All AMPK Isoform Specific Products:

View All Isoforms

NUAK1 NUAK2 AMPK AMPK α1β1γ1 AMPK α2β1γ1 AMPK α1β2γ1 AMPK α2β2γ1 BRSK1 BRSK2 HUNK AMPKα

Biological Activity
Purity & Documentation
References
Customer Review

Description

Cellular Effect

Cell Line	Type	Value	Description	References
AGS	IC₅₀	8.14 μM Compound: 29E; 64o	Anti-viability effect in human AGS cells incubated for 96 hrs by MTT assay Anti-viability effect in human AGS cells incubated for 96 hrs by MTT assay	[PMID: 39225755]
BEAS-2B	IC₅₀	> 100 μM Compound: 29E; 64o	Cytotoxicity against human BEAS-2B cells incubated for 96 hrs by MTT assay Cytotoxicity against human BEAS-2B cells incubated for 96 hrs by MTT assay	[PMID: 39225755]
HGC-27	IC₅₀	7.94 μM Compound: 29E; 64o	Anti-viability effect in human HGC-27 cells incubated for 96 hrs by MTT assay Anti-viability effect in human HGC-27 cells incubated for 96 hrs by MTT assay	[PMID: 39225755]
HUVEC	IC₅₀	> 100 μM Compound: 29E; 64o	Cytotoxicity against human HUVEC cells incubated for 96 hrs by MTT assay Cytotoxicity against human HUVEC cells incubated for 96 hrs by MTT assay	[PMID: 39225755]

Molecular Weight

354.36

Formula

C₁₈H₁₈N₄O₄

CAS No.

3056005-98-9

Appearance

Solid

Color

White to off-white

SMILES

O=C(C1=CN(C2=NC=C(C=N2)OCC3=CC(OC)=CC=C3)N=C1)OCC

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 (282.20 mM; ultrasonic and warming and heat to 60°C; 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	2.8220 mL	14.1099 mL	28.2199 mL
5 mM	0.5644 mL	2.8220 mL	5.6440 mL
10 mM	0.2822 mL	1.4110 mL	2.8220 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 90% Corn Oil
Solubility: ≥ 2.5 mg/mL (7.05 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 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 (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

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: 99.15%

Select Batch:

Data Sheet (270 KB) SDS (251 KB)

COA (246 KB) HNMR (141 KB) RP-HPLC (237 KB) LCMS (103 KB)

Handling Instructions (2659 KB)

References

[1]. Li F, et al. Structural Optimization and Structure-Activity Relationship of 1H-Pyrazole-4-carboxylic Acid Derivatives as DNA 6mA Demethylase ALKBH1 Inhibitors and Their Antigastric Cancer Activity. J Med Chem. 2024 Sep 12;67(17):15456-15475. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	2.8220 mL	14.1099 mL	28.2199 mL	70.5497 mL
	5 mM	0.5644 mL	2.8220 mL	5.6440 mL	14.1099 mL
	10 mM	0.2822 mL	1.4110 mL	2.8220 mL	7.0550 mL
	15 mM	0.1881 mL	0.9407 mL	1.8813 mL	4.7033 mL
	20 mM	0.1411 mL	0.7055 mL	1.4110 mL	3.5275 mL
	25 mM	0.1129 mL	0.5644 mL	1.1288 mL	2.8220 mL
	30 mM	0.0941 mL	0.4703 mL	0.9407 mL	2.3517 mL
	40 mM	0.0705 mL	0.3527 mL	0.7055 mL	1.7637 mL
	50 mM	0.0564 mL	0.2822 mL	0.5644 mL	1.4110 mL
	60 mM	0.0470 mL	0.2352 mL	0.4703 mL	1.1758 mL
	80 mM	0.0353 mL	0.1764 mL	0.3527 mL	0.8819 mL
	100 mM	0.0282 mL	0.1411 mL	0.2822 mL	0.7055 mL