YW3-56 (hydrochloride), Catalog: B2858

Alternate Names N-[(1S)-4-[(2-chloro-1-iminoethyl)amino]-1-[[(phenylmethyl)amino]carbonyl]butyl]-6-(dimethylamino)-2-naphthalenecarboxamide, monohydrochloride.

Formulation A solution in methanol

Molecular Formula C₂₇H₃₂ClN₅O₂.HCl

Molecular Weight 530.49

Purity ≥ 80%

SMILES CN(C)C1=CC=C2C(C=CC(C(N[C@@H](CCCNC(CCl)=N)C(NCC3=CC=CC=C3)=O)=O)=C2)=C1.Cl  

InChi InChI=1S/C27H32ClN5O2.ClH/c1-33(2)23-13-12-20-15-22(11-10-21(20)16-23)26(34)32-24(9-6-14-30-25(29)17-28)27(35) 31-18-19-7-4-3-5-8-19;/h3-5,7-8,10-13,15-16,24H,6,9,14,17-18H2,1-2H3,(H2,29,30)(H,31,35)(H,32,34);1H/t24-;/m0./s1

InChi Key DBGNVJZDXMWWQR-JIDHJSLPSA-N

Storage Conditions -20ºC

Shipping Conditions Gel Pack

USAGE For Research Use Only! Not For Use in Humans.

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

YW3-56 is an inhibitor of protein arginine deiminases PAD2 and PAD4 which convert protein arginine residues to citrulline. The IC₅₀ for inhibition of PAD4 and PAD2 is about 1–2 μM and 0.5–1 μM respectively. YW3-56 inhibits the growth of osteosarcoma U2OS cells with an IC₅₀ of 2.5 μM. YW3-56 induces p53 target genes SESN2 and DDIT4 which repress mTORC1 kinase activity. It perturbs autophagy and inhibits the growth of triple-negative breast cancer xenograft tumors in mice.