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Chemical structure of Cl-Amidine (hydrochloride)

GC18925

Cl-Amidine (hydrochloride)

Also known as N-[(2S)-1-amino-5-[(1-amino-2-chloroethylidene)amino]-1-oxopentan-2-yl]benzamide;hydrochloride

Cl-amidine is an inhibitor of protein arginine deiminases (PAD; IC50s = 0·8, 6·2, and 5·9 uM for PAD1, PAD3, and PAD4 in vitro, respectively)

ChemicalCAS1373232-26-8MW347.2FormulaC14H19ClN4O2·HCl
CAS number
1373232-26-8
Molecular weight
347.2
Formula
C14H19ClN4O2·HCl
Solubility
DMF： 14 mg/ml, DMSO： 100 mg/ml, water： 3 mg/ml
InChIKey
OPFMEGSAOZAJIV-MERQFXBCSA-N
Catalogue number
GC18925
Brand
GLPBIO
Computed properties PubChem CID 74889978 · TPSA 111 Ų · H-bond donors 4 · H-bond acceptors 3
TPSA
111 Ų
H-bond donors
4
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
22

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

Computed descriptors from PubChem (CID 74889978), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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