AFM-30a hydrochloride

Name: AFM-30a hydrochloride
Brand: MedChemExpress
SKU: HY-125099A
Rating: 4.5 (1 reviews)

Cat. No.: HY-125099A Purity: 99.96%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

AFM-30a hydrochloride is a potent protein arginine deiminase 2 (PAD2) inhibitor and has excellent PAD2-selectivity. AFM-30a hydrochloride binds to PAD2 with an EC₅₀ value of 9.5 μM. AFM-30a hydrochloride also inhibits H3 citrullination with an EC₅₀ value of 0.4 μM. AFM-30a hydrochloride can be used for the research of certain cancers and a variety of autoimmune diseases including rheumatoid arthritis (RA), multiple sclerosis, lupus, and ulcerative colitis.

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

AFM-30a hydrochloride Chemical Structure

Size	Price	Stock	Quantity
1 mg	USD 200	In-stock	Estimated Time of Arrival: December 31
5 mg	USD 620	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 980	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 1950	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 3250	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 5200	In-stock	Estimated Time of Arrival: December 31
200 mg		Get quote
500 mg		Get quote

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Customer Review

Based on 1 publication(s) in Google Scholar

Other Forms of AFM-30a hydrochloride:

AFM-30a Get quote

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Biological Activity
Purity & Documentation
References
Customer Review

Description

IC₅₀ & Target

EC50: 9.5 μM (PAD2); 0.4 μM (H3 citrullination)^[1]

In Vitro

AFM-30a hydrochloride (compound 30a; 25 μM) has good potency to enter HEK293T/PAD2 cells and covalent modify PAD2 with an EC₅₀ of 9.5 μM^[1].
AFM-30a hydrochloride shows good ability to inhibit H3 citrullination with an EC₅₀ of 0.4 μM^[1].

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

Cell Viability Assay^[1]

Cell Line:	HEK293T/PAD2 cells
Concentration:	Various concentrations
Incubation Time:	24 h
Result:	Exhibited low cytotoxicity for cells.

In Vivo

AFM-30a hydrochloride suppresses NLRP3 signaling and decreases airway remodeling in PAD2^-/-transgenic mice^[2].

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

Molecular Weight

502.97

Formula

C₂₄H₂₈ClFN₆O₃

Appearance

Solid

Color

White to off-white

SMILES

O=C(C1=C2C(NCC2=CC=C1)=O)N[C@H](C3=NC4=C(N3C)C=CC=C4OC)CCCNC(CF)=N.[H]Cl

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

4°C, sealed storage, away from moisture and light

*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light)

Solvent & Solubility

In Vitro:

DMSO : 50 mg/mL (99.41 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)

H₂O : 50 mg/mL (99.41 mM; Need ultrasonic)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	1.9882 mL	9.9410 mL	19.8819 mL
5 mM	0.3976 mL	1.9882 mL	3.9764 mL
10 mM	0.1988 mL	0.9941 mL	1.9882 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 (sealed storage, away from moisture and light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.

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 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 5 mg/mL (9.94 mM); Clear solution

This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 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: ≥ 5 mg/mL (9.94 mM); Clear solution

This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 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)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Calculation results:

Working solution concentration: mg/mL

This product has good water solubility, please refer to the measured solubility data in water/PBS/Saline for details.

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).

Purity & Documentation

Purity: 99.96%

Select Batch:

Data Sheet (277 KB) SDS (251 KB)

COA (254 KB) HNMR (259 KB) RP-HPLC (333 KB) MS (71 KB)

Handling Instructions (2659 KB)

References

[1]. Aaron Muth, et al. Development of a Selective Inhibitor of Protein Arginine Deiminase 2. J Med Chem. 2017 Apr 13;60(7):3198-3211. [Content Brief]

[2]. R. Surolia, et al. Role of PAD2 Regulated Inflammasome Signaling in Arsenic Induced Airway Inflammation and Remodeling. American Journal of Respiratory and Critical Care Medicine 2020;201:A2976.

Complete Stock Solution Preparation Table

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

DMSO / H₂O	1 mM	1.9882 mL	9.9410 mL	19.8819 mL	49.7048 mL
	5 mM	0.3976 mL	1.9882 mL	3.9764 mL	9.9410 mL
	10 mM	0.1988 mL	0.9941 mL	1.9882 mL	4.9705 mL
	15 mM	0.1325 mL	0.6627 mL	1.3255 mL	3.3137 mL
	20 mM	0.0994 mL	0.4970 mL	0.9941 mL	2.4852 mL
	25 mM	0.0795 mL	0.3976 mL	0.7953 mL	1.9882 mL
	30 mM	0.0663 mL	0.3314 mL	0.6627 mL	1.6568 mL
	40 mM	0.0497 mL	0.2485 mL	0.4970 mL	1.2426 mL
	50 mM	0.0398 mL	0.1988 mL	0.3976 mL	0.9941 mL
	60 mM	0.0331 mL	0.1657 mL	0.3314 mL	0.8284 mL
	80 mM	0.0249 mL	0.1243 mL	0.2485 mL	0.6213 mL

* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.