PHGDH-IN-5

Cat. No.: HY-161456: Data Sheet Handling Instructions Technical Support

Solubility

In Vivo Dissolution Calculator

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.

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

PHGDH-IN-5 Chemical Structure

CAS No. : 17402-86-7

Size	Price	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 199	In-stock	Estimated Time of Arrival: May 2
Solution
10 mM * 1 mL in DMSO	USD 209	In-stock	Estimated Time of Arrival: May 2
Solid
5 mg	USD 190	In-stock	Estimated Time of Arrival: May 2
10 mg	USD 300	In-stock	Estimated Time of Arrival: May 2
25 mg	USD 600	In-stock	Estimated Time of Arrival: May 2
50 mg	USD 960	In-stock	Estimated Time of Arrival: May 2
100 mg	USD 1540	In-stock	Estimated Time of Arrival: May 2
200 mg		Get quote
500 mg		Get quote

Get it by May 12 for select sizes. Order within 12 hrs 45 mins.

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Description

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.

17402-86-7

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
10 mM	0.4735 mL	2.3675 mL	4.7351 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: ≥ 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)

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

Data Sheet (278 KB) Handling Instructions (2659 KB)

References

[1]. Cao XY, et al. Identification of benzo[b]thiophene-1,1-dioxide derivatives as novel PHGDH covalent inhibitors. Bioorg Chem. 2024;146:107330. [Content Brief]

Complete Stock Solution Preparation Table

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

PHGDH-IN-5 Related Classifications

Keywords:

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

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PHGDH-IN-5

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