Cl-amidine - 10mM in DMSO , CAS No.1043444-18-3

CAS: 1043444-18-3 Cat. No.: C409028 Formula: C₁₄H₁₉ClN₄O₂.C₂HF₃O₂ Molecular Weight: 424.80

GRADE & PURITY 10mM in DMSO

Synonyms

Benzamide, N-​[(1S)​-​1-​(aminocarbonyl)​-​4-​[(2-​chloro-​1-​iminoethyl)​amino]​butyl]​-​, 2,​2,​2-​trifluoroacetate (1:1)

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

Cl-amidine Cl-amidine is an irreversible pan- peptidylarginine deiminase (PAD) inhibitor with IC50 values of 5.9 ± 0.3 μM, 0.8 ± 0.3 μM, 6.2 ± 1.0 μM for PAD4, PAD1 and PAD3, respectively. Cl-amidine induces apoptosis .
In vitro

Cl-amidine antagonizes the PAD4-mediated enhancement of the the p300GBD-GRIP1 interaction in a dose-dependent manner. The inhibitory effect of this compound is not a nonspecific one but is targeted at the active PAD4 enzyme. Cl-amidine increases p53 expression in CD45 positive immune cells. It triggers the differentiation and apoptosis of multiple cancer cell lines that are p53+/+ and p53−/− (e.g., HL60, HT29, TK6, and U2-OS cells). Cl-amidine induces the expression of p53 and several downstream target genes including the cyclin dependent kinase inhibitor p21, GADD45, and the proapoptotic protein PUMA in U2-OS osteosarcoma cells.

In vivo

Cl-amidine treatment inhibits NZM(New Zealand mixed 2328) NET(neutrophil extracellular trap) formation in vivo and significantly alters circulating autoantibody profiles and complement levels while reducing glomerular IgG deposition. Further, Cl-amidine increases the differentiation capacity of bone marrow endothelial progenitor cells, improves endothelium-dependent vasorelaxation, and markedly delays time to arterial thrombosis induced by photochemical injury. Cl-amidine delays thrombosis development in NZM mice. It inhibits PADs in mice without significant toxicity and improves disease phenotypes in animal models of inflammatory arthritis and inflammatory bowel disease. And It is shown to reduce disease severity in mouse models of ulcerative colitis and RA.
Cell Data

cell lines：

Concentrations：0-200 μM

Incubation Time：40 h

Powder Purity:≥97%

Specifications

Synonyms

Benzamide, N-​[(1S)​-​1-​(aminocarbonyl)​-​4-​[(2-​chloro-​1-​iminoethyl)​amino]​butyl]​-​, 2,​2,​2-​trifluoroacetate (1:1)

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Cl-amidine is an irreversible pan-peptidylarginine deiminase (PAD) inhibitor with IC50 values of 5.9 ± 0.3 μM, 0.8 ± 0.3 μM, 6.2 ± 1.0 μM for PAD4, PAD1 and PAD3, respectively. Cl-amidine induces apoptosis.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Product Properties

ALogP

1.333

hba_count

3

HBD Count

3

Rotatable Bond

10

Names and Identifiers

Isomeric SMILES

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

Alternate CAS

1373232-26-8；913723-61-2

Molecular Weight

424.80

Associated Targets(Human)

PADI1 Tchem Protein-arginine deiminase type-1 (1 Activities)

Discover Target: PADI1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• DMSO(mg / mL) Max Solubility: 84
• DMSO(mM) Max Solubility: 197.740113
• Water(mg / mL) Max Solubility: 70
• Water(mM) Max Solubility: 164.7834275

Frequently Asked Questions

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1043444-18-3, the molecular formula is C14H19ClN4O2.C2HF3O2, and the molecular weight is 424.80 g/mol.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.