Cl-Amidine (hydrochloride) | B2802

Cl-Amidine (hydrochloride) is an irreversible pan-peptidylarginine deiminase (PAD) inhibitor. It catalyzes the post-translational modification of arginine residues on histones to form citrulline. The in vitro IC₅₀ values are 5.9 ± 0.3 μM, 0.8 ± 0.3 μM, 6.2 ± 1.0 μM for PAD4, PAD1 and PAD3, respectively. It causes apoptosis in multiple cancer cell lines such as HL60, HT29, TK6, and U2-OS cells. It improves disease phenotypes in animal models of inflammatory arthritis and inflammatory bowel disease. It reduces the development of IgG autoantibodies in a collagen-induced mouse model of inflammatory arthritis.

Cl-Amidine (hydrochloride) is an irreversible pan-peptidylarginine deiminase (PAD) inhibitor. It catalyzes the post-translational modification of arginine residues on histones to form citrulline. The in vitro IC₅₀ values are 5.9 ± 0.3 μM, 0.8 ± 0.3 μM, 6.2 ± 1.0 μM for PAD4, PAD1 and PAD3, respectively. It causes apoptosis in multiple cancer cell lines such as HL60, HT29, TK6, and U2-OS cells. It improves disease phenotypes in animal models of inflammatory arthritis and inflammatory bowel disease. It reduces the development of IgG autoantibodies in a collagen-induced mouse model of inflammatory arthritis.

B2802 | Cl-Amidine (hydrochloride) DataSheet

Alternate Name/Synonyms: Cl-amidine (hydrochloride), N-[(1S)-1-(Aminocarbonyl)-4-[(2-chloro-1-iminoethyl)amino]butyl]-benzamide hydrochloride, (2S)-5-(2-chloroethanimidamido)-2-(phenylformamido)pentanamide hydrochloride, (S)-N-(1-amino-5-(2-chloroacetimidamido)-1-oxopentan-2-yl)benzamide hydrochloride, N-(1S)-1-(Aminocarbonyl)-4-(2-chloro-1-iminoethyl)aminobutyl-benzamide hydrochloride

Appearance: Crystalline solid

Formulation:

CAS Number: 1373232-26-8

Structure Available?: True

Peptide sequence:

Salt Form: True

Molecular Formula: C₁₄H₂₀Cl₂N₄O₂

Molecular Weight: 347.24

Cell-Permeable?: True

Purity: ≥95%

Solubilities: 50 mg/ml in in DMSO, 14 mg/ml in DMF in 0, ~20 mg/ml in in Ethanol

Handling: Do not take internally. Wear gloves and mask when handling the product! Avoid contact by all modes of exposure.

Country of Origin: USA

Tag Line: An irreversible pan-peptidylarginine deiminase (PAD) inhibitor.

MDL Number:

PubChem CID: 74889978

SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN=C(CCl)N)C(=O)N.Cl

InChi: InChI=1S/C14H19ClN4O2.ClH/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10;/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21);1H/t11-;/m0./s1

InChi Key: OPFMEGSAOZAJIV-MERQFXBCSA-N