NF-kappaB Activation Inhibitor VI, benzoxathiole compound

关键信息

CAS 号

113760-29-5

纯度

>95%

形式

Solid

form

分子量

273.4 Da

分子式

C₁₅H₁₅NO₂S

PubChem

13925917

属性

Synthetic

溶解度

Soluble in DMSO

Soluble in ethanol

生化试剂名称

1,3-Benzoxathiol-4(5H)-one, 6,7-dihydro-6,6-dimethyl-2-(phenylimino)-

生物学描述

Cell-permeable benzoxathiole compound that acts as an IKK-2 inhibitor, presumably by targeting the Ser¹⁷⁷ and/or Ser¹⁸¹ residues in the kinase's activation loop domain. Shown to inhibit LPS-induced NF-κB activation (IC₅₀ = 1.0 μM) and nitrite production (IC₅₀ = 0.7 μM) in RAW 264.7 cells in vitro and effectively prevent LPS-induced septic death in mice in vivo.

经典 SMILES

CC1(CC2=C(C(=O)C1)SC(=NC3=CC=CC=C3)O2)C

InChi

InChI=1S/C15H15NO2S/c1-15(2)8-11(17)13-12(9-15)18-14(19-13)16-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3

InChiKey

XFSSJIQCIPSBHJ-UHFFFAOYSA-N

IUPAC 名

6,6-dimethyl-2-phenylimino-5,7-dihydro-1,3-benzoxathiol-4-one