Cl-amidine , CAS No.913723-61-2, Inhibitor of peptidyl arginine deiminase 3;Inhibitor of peptidyl arginine deiminase 4

Item Number
C608581
Grouped product items
SKUSizeAvailabilityPrice Qty
C608581-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,334.90
C608581-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,001.90

Basic Description

Specifications & PurityMoligand™
GradeMoligand™
Action TypeINHIBITOR
Mechanism of actionInhibitor of peptidyl arginine deiminase 3;Inhibitor of peptidyl arginine deiminase 4

Associated Targets(Human)

PADI4 Tchem Protein-arginine deiminase type-4 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PADI3 Tchem Protein-arginine deiminase type-3 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

Names and Identifiers

IUPAC Name N-[(2S)-1-amino-5-[(1-amino-2-chloroethylidene)amino]-1-oxopentan-2-yl]benzamide
INCHI InChI=1S/C14H19ClN4O2/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)/t11-/m0/s1
InChi Key BPWATVWOHQZVRP-NSHDSACASA-N
Canonical SMILES ClCC(=N)NCCC[C@@H](C(=O)N)NC(=O)c1ccccc1
Isomeric SMILES C1=CC=C(C=C1)C(=O)N[C@@H](CCCN=C(CCl)N)C(=O)N
PubChem CID 24970878

Certificates

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Related Documents

References

1. Causey CP, Jones JE, Slack JL, Kamei D, Jones LE, Subramanian V, Knuckley B, Ebrahimi P, Chumanevich AA, Luo Y et al..  (2011)  The development of N-α-(2-carboxyl)benzoyl-N(5)-(2-fluoro-1-iminoethyl)-l-ornithine amide (o-F-amidine) and N-α-(2-carboxyl)benzoyl-N(5)-(2-chloro-1-iminoethyl)-l-ornithine amide (o-Cl-amidine) as second generation protein arginine deiminase (PAD) inhibitors..  J Med Chem,  54  (19): (6919-35).  [PMID:21882827] [10.1021/op500134e]

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