1. Metabolic Enzyme/Protease
  2. Aldehyde Dehydrogenase (ALDH)
  3. NCT-506

NCT-506 is an orally bioavailable aldehyde dehydrogenase 1A1 (ALDH1A1) inhibitors with an IC50 of 7 nM.

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

NCT-506 Chemical Structure

NCT-506 Chemical Structure

CAS No. : 2231098-99-8

Size Price Stock Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO
ready for reconstitution
USD 407 In-stock
Solution
10 mM * 1 mL in DMSO USD 407 In-stock
Solid
5 mg USD 370 In-stock
10 mg USD 600 In-stock
25 mg USD 1200 In-stock
50 mg USD 1930 In-stock
100 mg USD 3100 In-stock
200 mg   Get quote  
500 mg   Get quote  

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Description

NCT-506 is an orally bioavailable aldehyde dehydrogenase 1A1 (ALDH1A1) inhibitors with an IC50 of 7 nM[1].

IC50 & Target

ALDH1

 

Cellular Effect
Cell Line Type Value Description References
OV-90 EC50
45.6 μM
Compound: 91; NCT506
Cytotoxicity against 3D culture of human OV90 cells assessed as decrease in cell viability after 6 days by CellTiter-Glo assay
Cytotoxicity against 3D culture of human OV90 cells assessed as decrease in cell viability after 6 days by CellTiter-Glo assay
[PMID: 29767973]
In Vitro

NCT-506 inhibits ALDH1A1, hALDH1A3, hALDH2 with IC50s of 0.007±0.001, 16.4±3.99, and 21.5 μM, respectively[1].
NCT-506 (100, 10, 1, 0.1 μM, 6 days) decreases significantly cell viability with an EC50 of 45.6 μM in OV-90 cells. NCT-506 inhibits MIA PaCa-2, OV-90, and HT-29 cells with IC50s of 0.077±0.040, 0.161±0.038, and 0.048±0.022 μM in aldefluor cell-based assays, respectively[1].
NCT-506 is treated in combined with Paclitaxel, IC50s of 1202, 924, 870, 411, 102, and 31.8 nM with concentrations of NCT-506 at 0 (DMSO), 1, 3, 10, 20, 30 μM in SKOV-3-TR cells, respectively[1].

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

Cell Viability Assay[1]

Cell Line: OV-90 and SKOV-3-TR cells
Concentration: 100, 10, 1, 0.1 μM
Incubation Time: 6 days for OV-90 cells; 4 days for SKOV-3-TR cells
Result: Decreased significantly cell viability with an EC50 of 45.6 μM in OV-90 cells. Decreased cell viability in combined treatments (Paclitaxel concentration of 100 nM) with an EC50 of 11.2 μM in SKOV-3-TR cells.
Molecular Weight

478.54

Formula

C25H23FN4O3S

CAS No.
Appearance

Solid

Color

White to off-white

SMILES

FC1=CC2=C(C3=CC=C(C4(CC4)C#N)C=C3)C(C(N5CCN(S(C)(=O)=O)CC5)=O)=CN=C2C=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 : 33.33 mg/mL (69.65 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 2.0897 mL 10.4484 mL 20.8969 mL
5 mM 0.4179 mL 2.0897 mL 4.1794 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
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Concentration
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Volume
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Molecular Weight *

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

This equation is commonly abbreviated as: C1V1 = C2V2

Concentration (start)

C1

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Volume (start)

V1

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Concentration (final)

C2

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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 (5.22 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% Corn Oil

    Solubility: ≥ 2.5 mg/mL (5.22 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)

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 2.0897 mL 10.4484 mL 20.8969 mL 52.2422 mL
5 mM 0.4179 mL 2.0897 mL 4.1794 mL 10.4484 mL
10 mM 0.2090 mL 1.0448 mL 2.0897 mL 5.2242 mL
15 mM 0.1393 mL 0.6966 mL 1.3931 mL 3.4828 mL
20 mM 0.1045 mL 0.5224 mL 1.0448 mL 2.6121 mL
25 mM 0.0836 mL 0.4179 mL 0.8359 mL 2.0897 mL
30 mM 0.0697 mL 0.3483 mL 0.6966 mL 1.7414 mL
40 mM 0.0522 mL 0.2612 mL 0.5224 mL 1.3061 mL
50 mM 0.0418 mL 0.2090 mL 0.4179 mL 1.0448 mL
60 mM 0.0348 mL 0.1741 mL 0.3483 mL 0.8707 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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NCT-506
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HY-112278
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