AY 254

Name: AY 254
CAS#: 2093408-03-6
Chemical Formula: C30H49N9O6
Exact Mass: 631.3806
Molecular Weight: 631.779
Elemental Analysis: C, 57.03; H, 7.82; N, 19.95; O, 15.19

Description: AY 254 is a potent PAR2 biased agonist. It selectively activates ERK1/2 signaling (EC50 = 2 nM for ERK1/2 phosphorylation versus 80 nM for Ca2+ release). AY 254 reduces cytokine-induced caspase 3/8 activation, promotes scratch-wound healing, and induces IL-8 secretion, in human colorectal cancer (HT29) cells in vitro.

IUPAC/Chemical Name: N-((6S,9S,12S,15S)-1-amino-6-carbamoyl-12,16-dicyclohexyl-1-imino-9-methyl-8,11,14-trioxo-2,7,10,13-tetraazahexadecan-15-yl)isoxazole-5-carboxamide

InChi Key: ZVDSAIOSGOWYAW-CKLTXHEASA-N

InChi Code: InChI=1S/C30H49N9O6/c1-18(26(41)37-21(25(31)40)13-8-15-34-30(32)33)36-29(44)24(20-11-6-3-7-12-20)39-27(42)22(17-19-9-4-2-5-10-19)38-28(43)23-14-16-35-45-23/h14,16,18-22,24H,2-13,15,17H2,1H3,(H2,31,40)(H,36,44)(H,37,41)(H,38,43)(H,39,42)(H4,32,33,34)/t18-,21-,22-,24-/m0/s1

SMILES Code: O=C(C1=CC=NO1)N[C@@H](CC2CCCCC2)C(N[C@@H](C3CCCCC3)C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N)=O)=O)C)=O)=O

Appearance: Solid powder