4-{3-[(1-amino-2-chloroethyl)amino]propyl}-1-{[3-(2-chlorophenyl)phenyl]methyl}-5-hydroxyimidazolidin-2-one , CAS No.A608717, Inhibitor of peptidyl arginine deiminase 3;Inhibitor of peptidyl arginine deiminase 4

Item Number

A608717

Grouped product items
SKU	Size	Availability	Price	Qty
A608717-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,000.90
A608717-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

View related series

Specifications & Purity

Moligand™

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of peptidyl arginine deiminase 3;Inhibitor of peptidyl arginine deiminase 4

Associated Targets(Human)

PADI4 Tchem Protein-arginine deiminase type-4 (0 Activities)

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

PADI3 Tchem Protein-arginine deiminase type-3 (0 Activities)

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

Names and Identifiers

IUPAC Name	4-{3-[(1-amino-2-chloroethyl)amino]propyl}-1-{[3-(2-chlorophenyl)phenyl]methyl}-5-hydroxyimidazolidin-2-one
INCHI	InChI=1S/C21H26Cl2N4O2/c22-12-19(24)25-10-4-9-18-20(28)27(21(29)26-18)13-14-5-3-6-15(11-14)16-7-1-2-8-17(16)23/h1-3,5-8,11,18-20,25,28H,4,9-10,12-13,24H2,(H,26,29)
InChi Key	TXEBWPPWSVMYOA-UHFFFAOYSA-N
Canonical SMILES	ClCC(NCCCC1NC(=O)N(C1O)Cc1cccc(c1)c1ccccc1Cl)N
Isomeric SMILES	C1=CC=C(C(=C1)C2=CC=CC(=C2)CN3C(C(NC3=O)CCCNC(CCl)N)O)Cl
PubChem CID	91827386

References

1. Jamali H, Khan HA, Stringer JR, Chowdhury S, Ellman JA. (2015) Identification of multiple structurally distinct, nonpeptidic small molecule inhibitors of protein arginine deiminase 3 using a substrate-based fragment method.. J Am Chem Soc, 137 (10): (3616-21). [PMID:25742366] [10.1021/op500134e]

Solution Calculators

Determine the necessary mass, volume, or concentration for preparing a solution.

Determine the dilution needed to prepare a stock solution.

Basic Description