2. Metabolic Enzyme/Protease
  3. Phosphoglycerate Dehydrogenase (PHGDH)
  4. PHGDH-IN-5

PHGDH-IN-5 (Compound B12) is a covalen inhibitor of PHGDH with an IC50 value of 0.29 μM. PHGDH-IN-5 can inhibit cell proliferation in cancer cell lines overexpressing PHGDH. PHGDH-IN-5 can reduce the production of serine derived from glucose in MDA-MB-468 cells.

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PHGDH-IN-5 Chemical Structure

PHGDH-IN-5 Chemical Structure

CAS No. : 17402-86-7

Size Price Stock Quantity
10 mM * 1 mL in DMSO In-stock
5 mg In-stock
10 mg In-stock
25 mg In-stock
50 mg In-stock
100 mg In-stock
200 mg   Get quote  
500 mg   Get quote  

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Description

PHGDH-IN-5 (Compound B12) is a covalen inhibitor of PHGDH with an IC50 value of 0.29 μM. PHGDH-IN-5 can inhibit cell proliferation in cancer cell lines overexpressing PHGDH. PHGDH-IN-5 can reduce the production of serine derived from glucose in MDA-MB-468 cells[1].

IC50 & Target

IC50: 0.29 μM (PHGDH)[1].
In Vitro

PHGDH-IN-5 can inhibit the proliferation of MDA-MB-468, NCI-H1975, HT1080, and PC9 cells, with IC50 values ranging from 9.93 μM to 21.2 μM[1].
PHGDH-IN-5 (10-30 μM) reduces the production of M+3-serine derived from 13C6-glucose in MDA-MB-468 cells[1].

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

211.19

Formula

C8H5NO4S
CAS No.
Appearance

Solid

Color

Off-white to light yellow

SMILES

O=S1(C2=CC=CC([N+]([O-])=O)=C2C=C1)=O
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 (473.51 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 4.7351 mL 23.6754 mL 47.3507 mL
5 mM 0.9470 mL 4.7351 mL 9.4701 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)

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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

×
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    90% Corn Oil

    Solubility: ≥ 5 mg/mL (23.68 mM); Clear solution

    This protocol yields a clear solution of ≥ 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 (50.0 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, PEG300/PEG400, Tween 80. All of co-solvents are available by MedChemExpress (MCE).
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 4.7351 mL 23.6754 mL 47.3507 mL 118.3768 mL
5 mM 0.9470 mL 4.7351 mL 9.4701 mL 23.6754 mL
10 mM 0.4735 mL 2.3675 mL 4.7351 mL 11.8377 mL
15 mM 0.3157 mL 1.5784 mL 3.1567 mL 7.8918 mL
20 mM 0.2368 mL 1.1838 mL 2.3675 mL 5.9188 mL
25 mM 0.1894 mL 0.9470 mL 1.8940 mL 4.7351 mL
30 mM 0.1578 mL 0.7892 mL 1.5784 mL 3.9459 mL
40 mM 0.1184 mL 0.5919 mL 1.1838 mL 2.9594 mL
50 mM 0.0947 mL 0.4735 mL 0.9470 mL 2.3675 mL
60 mM 0.0789 mL 0.3946 mL 0.7892 mL 1.9729 mL
80 mM 0.0592 mL 0.2959 mL 0.5919 mL 1.4797 mL
100 mM 0.0474 mL 0.2368 mL 0.4735 mL 1.1838 mL
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PHGDH-IN-5 Related Classifications

Keywords:

PHGDH-IN-517402-86-7Phosphoglycerate Dehydrogenase (PHGDH)MDA-MB-468、NCI-H1975、HT1080PC9cancerInhibitorinhibitorinhibit

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