1. Metabolic Enzyme/Protease
  2. Aldehyde Dehydrogenase (ALDH)
  3. ALDH1A3-IN-2

ALDH1A3-IN-2 (Compound 15) is a potent inhibitor of ALDH1A3 with an IC50 of 1.29 μM. Aldehyde dehydrogenases (ALDHs) are overexpressed in various tumor types including prostate cancer. ALDH1A3-IN-2 has the potential for the research of cancer diseases.

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

ALDH1A3-IN-2 Chemical Structure

ALDH1A3-IN-2 Chemical Structure

CAS No. : 886502-08-5

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Description

ALDH1A3-IN-2 (Compound 15) is a potent inhibitor of ALDH1A3 with an IC50 of 1.29 μM. Aldehyde dehydrogenases (ALDHs) are overexpressed in various tumor types including prostate cancer. ALDH1A3-IN-2 has the potential for the research of cancer diseases[1].

IC50 & Target

ALDH1

 

Cellular Effect
Cell Line Type Value Description References
DU-145 IC50
106 μM
Compound: 15
Antiproliferative activity against human DU145 cells expressing ALDH1A1 assessed as reduction in cell survival measured after 96 hrs by MTT assay
Antiproliferative activity against human DU145 cells expressing ALDH1A1 assessed as reduction in cell survival measured after 96 hrs by MTT assay
[PMID: 35212533]
LNCaP IC50
61 μM
Compound: 15
Antiproliferative activity against human LNCaP cells expressing ALDH1A3 assessed as reduction in cell survival measured after 96 hrs by MTT assay
Antiproliferative activity against human LNCaP cells expressing ALDH1A3 assessed as reduction in cell survival measured after 96 hrs by MTT assay
[PMID: 35212533]
PC-3 IC50
123 μM
Compound: 15
Antiproliferative activity against human PC-3 cells expressing ALDH1A1 and ALDH3A1 assessed as reduction in cell survival measured after 96 hrs by MTT assay
Antiproliferative activity against human PC-3 cells expressing ALDH1A1 and ALDH3A1 assessed as reduction in cell survival measured after 96 hrs by MTT assay
[PMID: 35212533]
Molecular Weight

203.28

Formula

C13H17NO

CAS No.
Appearance

Solid-Liquid Mixture

Color

Colorless to off-white

SMILES

O=CC1=CC(C)=C(C=C1)N2CCCCC2

Shipping

Room temperature in continental US; may vary elsewhere.

Storage
Pure form -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 (491.93 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 4.9193 mL 24.5966 mL 49.1932 mL
5 mM 0.9839 mL 4.9193 mL 9.8386 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)

Mass
=
Concentration
×
Volume
×
Molecular Weight *

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

This equation is commonly abbreviated as: C1V1 = C2V2

Concentration (start)

C1

×
Volume (start)

V1

=
Concentration (final)

C2

×
Volume (final)

V2

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: ≥ 2.5 mg/mL (12.30 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.

    Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
  • Protocol 2

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

    Solubility: ≥ 2.5 mg/mL (12.30 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.

    Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

g

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
References

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.

Optional Solvent Concentration Solvent Mass 1 mg 5 mg 10 mg 25 mg
DMSO 1 mM 4.9193 mL 24.5966 mL 49.1932 mL 122.9831 mL
5 mM 0.9839 mL 4.9193 mL 9.8386 mL 24.5966 mL
10 mM 0.4919 mL 2.4597 mL 4.9193 mL 12.2983 mL
15 mM 0.3280 mL 1.6398 mL 3.2795 mL 8.1989 mL
20 mM 0.2460 mL 1.2298 mL 2.4597 mL 6.1492 mL
25 mM 0.1968 mL 0.9839 mL 1.9677 mL 4.9193 mL
30 mM 0.1640 mL 0.8199 mL 1.6398 mL 4.0994 mL
40 mM 0.1230 mL 0.6149 mL 1.2298 mL 3.0746 mL
50 mM 0.0984 mL 0.4919 mL 0.9839 mL 2.4597 mL
60 mM 0.0820 mL 0.4099 mL 0.8199 mL 2.0497 mL
80 mM 0.0615 mL 0.3075 mL 0.6149 mL 1.5373 mL
100 mM 0.0492 mL 0.2460 mL 0.4919 mL 1.2298 mL
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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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Product Name:
ALDH1A3-IN-2
Cat. No.:
HY-144669
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