2331255-53-7
中文名称
ABC99
英文名称
4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-, 7-[(4-chlorophenyl)methyl]hexahydro-1,3-dioxoimidazo[1,5-a]pyrazin-2-yl ester
CAS
2331255-53-7
分子式
C22H21ClN4O5
分子量
456.88
MOL 文件
2331255-53-7.mol
2331255-53-7 结构式
基本信息
中文别名
化合物ABC99 英文别名
4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-, 7-[(4-chlorophenyl)methyl]hexahydro-1,3-dioxoimidazo[1,5-a]pyrazin-2-yl ester 所属类别
生物化工：抑制剂物理化学性质
储存条件-20°C储存
溶解度Acetonitrile: 1 mg/ml; Chloroform: 1 mg/ml; Methyl Acetate: 1 mg/ml
形态结晶固体
颜色White to off-white
InChIInChI=1S/C22H21ClN4O5/c23-16-7-5-15(6-8-16)13-24-9-10-25-18(14-24)20(28)27(21(25)29)32-22(30)26-11-12-31-19-4-2-1-3-17(19)26/h1-8,18H,9-14H2
InChIKeyOZPZCETZTBBQBO-UHFFFAOYSA-N
SMILESO1C2=CC=CC=C2N(C(ON2C(=O)C3N(C2=O)CCN(CC2=CC=C(Cl)C=C2)C3)=O)CC1
应用领域
用途一
ABC99 is a Selective Irreversible Inhibitors of the Wnt-Deacylating Enzyme, ABC99 inhibited NOTUM with an IC50 value of 13 nM and showed excellent selectivity across the serine hydrolase family, as initially assessed by gel-based ABPP of soluble and membrane proteomes from SW620 cells. ABC99 preserves Wnt-mediated cell signaling in the presence of NOTUM and was also converted into an ABPP probe for visualizing NOTUM in native biological systems.