Cat. No.: HY-100574B

Cl-amidine TFA

24 Cited Publications

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Based on 24 publication(s) in Google Scholar

Cl-amidine TFA is an orally active peptidylarginine deminase (PAD) inhibitor, with IC₅₀ values of 0.8 μM, 6.2 μM and 5.9 μM for PAD1, PAD3, and PAD4, respectively. Cl-amidine TFA induces apoptosis in cancer cells. Cl-amidine TFA induces microRNA (miR)-16 (miRNA-16, microRNA-16) expression and causes cell cycle arrest. Cl-Amidine TFA prevents histone 3 citrullination and neutrophil extracellular trap formation, and improves survival in a murine sepsis model.

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Pureté: 98.10%
CAS No.: 1043444-18-3
Formule: C₁₆H₂₀ClF₃N₄O₄
Masse moléculaire:424.80

Stockage:

-20°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)

Cl-amidine TFA Chemical Structure

CAS No.: 1043444-18-3

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Activité biologique
- Description
- IC₅₀ & Target
- In Vitro
- In Vivo
Chemical Information
Publications (24)
Solvant et solubilité
- In Vitro
- In Vivo
Pureté et documentation
Références
Help & FAQs
Classifications
Bioz

Activité biologique

Description

IC₅₀ & Target

IC50: 0.8 μM (PAD1), 5.9 μM (PAD4), 6.2 μM (PAD3)^[1]^[5].

In Vitro

Cl-amidine is a bioavailable haloacetamidine-based compound that inhibits all the active PAD isozymes with near equal potency (k_inact/K_I=13,000 M_-1 min-1 for PAD4)^[1].
Cl-amidine (0, 5, 10, 15, 20, 25, 50 μg/mL, 24 hours) induces apoptosis in TK6 lymphoblastoid cells and HT29 colon cancer cells in a dose-dependent manner. Interestingly, the colon cancer cell line (HT29) is relatively resistant to apoptosis caused by Cl-amidine^[2].
Cl-amidine irreversibly inactivates PADs by covalently modifying an active site cysteine that is important for its catalytic activity^[4].

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

Apoptosis Analysis^[2].

Cell Line:

TK6 lymphoblastoid cells and HT29 colon cancer cells.
Concentration:

0, 5, 10, 15, 20, 25, 50 μg/mL.
Incubation Time:

24 h.
Result:

Induced apoptosis dose-dependently.

In Vivo

Cl-amidine (75 mg/kg, ip once daily) suppresses and treats DSS-induced colitis in mice^[2].
Cl-amidine (5, 25, 75 mg/kg, oral gavage, once daily) leads to significant reductions in the histology scores dose-dependently^[2].

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

Animal Model:

C57BL/6 mice (8-12 wk old, DSS mouse model of colitis)^[2].
Dosage:

75 mg/kg.
Administration:

IP once daily.
Result:

Suppressed PAD activity, protein citrullination, and PAD levels in the colon in vivo.

Animal Model:

C57BL/6 mice (8-12 wk old, DSS mouse model of colitis)^[2].
Dosage:

5, 25, 75 mg/kg.
Administration:

Oral gavage once daily.
Result:

Led to significant reductions in the histology scores.

Chemical Information

CAS No. 1043444-18-3
Appearance Solid
Masse moléculaire 424.80
Formule C₁₆H₂₀ClF₃N₄O₄
Color White to off-white
SMILES

O=C(N[C@H](C(N)=O)CCCNC(CCl)=N)C1=CC=CC=C1.O=C(O)C(F)(F)F
Livraison

Room temperature in continental US; may vary elsewhere.
Stockage

-20°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)

Publications (24)

All Bio/Physico-chemical AssayWBCell Proliferation/Viability AssayIHCIn Vivo Efficacy Study

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Journal Impact Factor

Eur Heart J

Targeting P2Y14R alleviates platelet-induced NET formation and venous thrombosis through PKA/AKAP13/RhoA axis. [Abstract]

2025 Oct 27:ehaf836. PMID: 41143464
Nat Biomed Eng

Bacteria-mediated resistance of neutrophil extracellular traps to enzymatic degradation drives the formation of dental calculi. [Abstract]

2024 Sep;8(9):1177-1190. PMID: 38491329
Acta Pharm Sin B

2025 Sep 12.
Adv Sci (Weinh)

pH/ROS-Responsive Injectable Hydrogel Co-Loaded with B7-H3 Blocker and NETs Suppressor Boosts OSCC Synergistic Immunotherapy. [Abstract]

2026 Apr;13(20):e15431. PMID: 41684277
Exp Mol Med

IL33-induced neutrophil extracellular traps (NETs) mediate a positive feedback loop for synovial inflammation and NET amplification in rheumatoid arthritis. [Abstract]

2024 Dec;56(12):2602-2616. PMID: 39617790

Cl-amidine TFA purchased from MedChemExpress. Usage Cited in: Exp Mol Med. 2024 Dec;56(12):2602-2616. [Abstract]

NET-DNA levels produced by RA neutrophils pretreated with 10 μM DPI, 10 μM Cl-Amidine or 20 μM sivelestat for 1 h prior to stimulation with 100 ng/mL IL-33 or 40 nM PMA for 4 h.
J Hazard Mater

Interleukin-33 modulates NET formation via an autophagy-dependent manner to promote neutrophilic inflammation in cigarette smoke-exposure asthma. [Abstract]

2025 Jan 16:487:137257. PMID: 39842125

Cl-amidine TFA purchased from MedChemExpress. Usage Cited in: J Hazard Mater. 2025 Jan 16:487:137257. [Abstract]

In the co-culture, inhibiting NET formation (treated with 200 μM Cl-amidine for 15 min) downregulated the HIF-1αpathway and upregulated p-mTOR, while stimulating NETs (treated with 100 nM PMA for 3 h) had the opposite effect.
MedComm (2020)

Outer membrane vesicle contributes to the Pseudomonas aeruginosa resistance to antimicrobial peptides in the acidic airway of bronchiectasis patients. [Abstract]

2025 Jan 30;6(2):e70084. PMID: 39896756

Cl-amidine TFA purchased from MedChemExpress. Usage Cited in: MedComm (2020). 2025 Jan 30;6(2):e70084. [Abstract]

Inhibition of OMV release with Cl-amidine, a protein arginine deiminase inhibitor, significantly reversed the reinforcing effect of lactate-adjusted low-pH conditions on the P. aeruginosa LL-37 resistance
Free Radic Biol Med

Neutrophil extracellular traps promote M1 macrophage polarization in gouty inflammation via targeting hexokinase-2. [Abstract]

2024 Sep 12:S0891-5849(24)00656-7. PMID: 39277122

Cl-amidine TFA purchased from MedChemExpress. Usage Cited in: Free Radic Biol Med. 2024 Sep 12:S0891-5849(24)00656-7. [Abstract]

GA mice were pretreated with DNase I or Cl-Amidine (a PAD4 inhibitor). Elevated NETs (marked with histone H3 and MPO) in GA mice were significantly reduced after treatment with DNase I or Cl-Amidine (50 mg/kg, ip).

Cl-amidine TFA purchased from MedChemExpress. Usage Cited in: Free Radic Biol Med. 2024 Sep 12:S0891-5849(24)00656-7. [Abstract]

Based on the analysis of the ankle swelling index, the swelling index was significantly increased in the MSU group when compared with the control group. DNase I or Cl-Amidine (50 mg/kg, ip) treatment significantly reduced the swelling index in GA mice.
Neoplasia

PAD4-dependent citrullination of nuclear translocation of GSK3β promotes colorectal cancer progression via the degradation of nuclear CDKN1A. [Abstract]

2022 Nov;33:100835. PMID: 36113195
Cell Rep

Inappropriate use of antibiotics exacerbates inflammation through OMV-induced pyroptosis in MDR Klebsiella pneumoniae infection. [Abstract]

2021 Sep 21;36(12):109750. PMID: 34551309
J Agric Food Chem

T-2 Toxin Induces Macrophage Extracellular Trap Formation via CLOCK-WNT10B-PAD2/ROS Signaling. [Abstract]

2026 Jun 10;74(22):17392-17404. PMID: 42207496
Transl Res

Neutrophil Extracellular Traps Induce Abdominal Aortic Aneurysm Formation by Promoting the Synthetic and Proinflammatory Smooth Muscle Cell Phenotype via Hippo-YAP Pathway. [Abstract]

2023 May:255:85-96. PMID: 36435329
Chin Med

Fuzheng Jiedu formula attenuates acute pneumonia by coordinated regulation of macrophage NLRP3 inflammasome and neutrophil NETs. [Abstract]

2026 Jan 4;21(1):1. PMID: 41484909
Int Immunopharmacol

Inhibition of neutrophil infiltration and NETosis ameliorates sepsis-induced cardiac injury and reduces myocardial inflammation and apoptosis. [Abstract]

2026 Jan 1;168(Pt 1):115862. PMID: 41248570
J Inflamm Res

Fire Needling Acupuncture Reduces Neutrophil Extracellular Traps (NETs) Formation and Inhibits TLR4/NF-κB/LCN2 Pathway in Psoriasis-Like Skin Lesions. [Abstract]

2026 Mar 20:19:569462. PMID: 41907203
J Inflamm Res

Standardized Extract of Flavonoids from Smilax glabra Alleviates Gouty Arthritis by Multi-Target Inhibition of Neutrophil Extracellular Traps via the Raf/ERK and Histone Citrullination Pathways. [Abstract]

2026 Feb 13:19:557809. PMID: 41709965
Fish Shellfish Immunol

Zinc oxide nanoparticles (ZnO-NPs) exhibit immune toxicity to crucian carp (Carassius carassius) by neutrophil extracellular traps (NETs) release and oxidative stress. [Abstract]

2022 Oct:129:22-29. PMID: 35932984
Chem Res Toxicol

Polychlorinated Biphenyl Quinone Metabolites Cause Neutrophil Extracellular Traps in Mouse Bone Marrow Neutrophils. [Abstract]

2022 Apr 18;35(4):597-605. PMID: 35168318
Microb Pathogenesis

Cl-amidine attenuates lipopolysaccharide-induced mouse mastitis by inhibiting NF-κB, MAPK, NLRP3 signaling pathway and neutrophils extracellular traps release. [Abstract]

2020 Dec;149:104530. PMID: 32980473
Immun Inflamm Dis

Neutrophil Extracellular Traps Activate Meningeal Fibroblast to Aggravate Subarachnoid Fibrosis in Kaolin-Induced Hydrocephalus in Rats. [Abstract]

2025 Nov;13(11):e70268. PMID: 41236114
Microvasc Res

Light-induced circadian rhythm disorder leads to microvascular dysfunction via up-regulating NETs. [Abstract]

2023 Nov:150:104592. PMID: 37567437
Vet Parasitol

Giardia duodenalis cysts induce bovine neutrophil extracellular trap formation. [Abstract]

2026 May:344:110769. PMID: 41967379
Vet Parasitol

Giardia duodenalis trophozoites triggered bovine neutrophil extracellular traps formation dependent on P2X1 receptor and PAD4 in vitro. [Abstract]

2022 Dec:312:109841. PMID: 36427458
Research Square Print

January 4th, 2023.

Solvant et solubilité

In Vitro:

H₂O : 25 mg/mL (58.85 mM; Need ultrasonic)

DMSO : 6.67 mg/mL (15.70 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

2.3540 mL

11.7702 mL

23.5405 mL

5 mM

0.4708 mL

2.3540 mL

4.7081 mL

10 mM

0.2354 mL

1.1770 mL

2.3540 mL

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.

Calculateur de molarité

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass Mass

Concentration Concentration

Volume Volume

Molecular Weight Molecular Weight

Calculateur de dilution

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

Concentration _(start) Concentration _(start)

Volume _(start) Volume _(start)

Concentration _(final) Concentration _(final)

Volume _(final) Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

Stock Solution Working Solution

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: ≥ 0.67 mg/mL (1.58 mM); Clear solution

This protocol yields a clear solution of ≥ 0.67 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (6.7 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.

Protocol 2

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

Solubility: ≥ 0.67 mg/mL (1.58 mM); Clear solution

This protocol yields a clear solution of ≥ 0.67 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (6.7 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.

Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil

Solubility: ≥ 0.67 mg/mL (1.58 mM); Clear solution

This protocol yields a clear solution of ≥ 0.67 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 (6.7 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

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

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

Working solution concentration: 0.22 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) .

Pureté et documentation

Select Batch:

Pureté: 99.98%

Assay: 99.98%

ee.: 99.98%

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Références

[1]. Yuan Luo, et al. Inhibitors and Inactivators of Protein Arginine Deiminase 4: Functional and Structural Characterization. Biochemistry. 2006 Oct 3; 45(39): 11727–11736. [Content Brief]

[2]. Chumanevich AA, et al. Suppression of colitis in mice by Cl-amidine: a novel peptidylarginine deiminase inhibitor. Am J Physiol Gastrointest Liver Physiol. 2011 Jun;300(6):G929-38. [Content Brief]

[3]. Witalison EE, et al. Molecular targeting of protein arginine deiminases to suppress colitis and prevent colon cancer. Oncotarget. 2015 Nov 3;6(34):36053-62. [Content Brief]

[4]. Biron BM, et al., Cl-Amidine Prevents Histone 3 Citrullination and Neutrophil Extracellular Trap Formation, and Improves Survival in a Murine Sepsis Model. J Innate Immun. 2017;9(1):22-32. [Content Brief]

[5]. Bryan Knuckley, et al. Substrate Specificity and Kinetic Studies of PADs 1, 3, and 4 Identify Potent and Selective Inhibitors of Protein Arginine Deiminase 3. Biochemistry. 2010 Jun 15;49(23):4852-63. [Content Brief]

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO / H₂O	1 mM	2.3540 mL	11.7702 mL	23.5405 mL	58.8512 mL
	5 mM	0.4708 mL	2.3540 mL	4.7081 mL	11.7702 mL
	10 mM	0.2354 mL	1.1770 mL	2.3540 mL	5.8851 mL
	15 mM	0.1569 mL	0.7847 mL	1.5694 mL	3.9234 mL
H₂O	20 mM	0.1177 mL	0.5885 mL	1.1770 mL	2.9426 mL
	25 mM	0.0942 mL	0.4708 mL	0.9416 mL	2.3540 mL
	30 mM	0.0785 mL	0.3923 mL	0.7847 mL	1.9617 mL
	40 mM	0.0589 mL	0.2943 mL	0.5885 mL	1.4713 mL
	50 mM	0.0471 mL	0.2354 mL	0.4708 mL	1.1770 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.

Keywords

Cl-amidine TFA

24 Cited Publications

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Cl-amidine TFA

Apoptosis Compound Library

Epigenetics Compound Library

Immunology/Inflammation Compound Library

Anti-Cancer Compound Library

Orally Active Compound Library

Cell Death Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

Non-Alcoholic Fatty Liver Disease (NAFLD) Compound Library

High-Throughput Bioactive Compound Library

Publications Citing Use of MedChemExpress (MCE) Cl-amidine TFA

Activité biologique

Chemical Information

Publications (24)

Solvant et solubilité

Pureté et documentation

Références

Help & FAQs

Complete Stock Solution Preparation Table

Cl-amidine TFA

Apoptosis Compound Library

Epigenetics Compound Library

Immunology/Inflammation Compound Library

Anti-Cancer Compound Library

Orally Active Compound Library

Cell Death Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

Non-Alcoholic Fatty Liver Disease (NAFLD) Compound Library

High-Throughput Bioactive Compound Library

Publications Citing Use of MedChemExpress (MCE) Cl-amidine TFA

Activité biologique

Chemical Information

Publications (24)

Solvant et solubilité

Pureté et documentation

Références

Help & FAQs

Complete Stock Solution Preparation Table

Cl-amidine TFA Related Classifications

HY-100574B Related Classifications