Name: PED6
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218848679
Cas No:388061-84-5
常用名:PED6
IUPAC:hydrogen 4-[5-({1-[(2-{6-[(2,4-dinitrophenyl)amino]hexanamido}ethyl phosphonato)oxy]-3-(hexadecanoyloxy)propan-2-yl}oxy)-5-oxopentyl]-2,2-difluoro-10,12-dimethyl-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide triethylamine
IUPAC:hydrogen 4-[5-({1-[(2-{6-[(2,4-dinitrophenyl)amino]hexanamido}ethyl phosphonato)oxy]-3-(hexadecanoyloxy)propan-2-yl}oxy)-5-oxopentyl]-2,2-difluoro-10,12-dimethyl-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide triethylamine
InChI key:LLZQJHKTFZEMOS-UHFFFAOYSA-N

分子式:C55H89BF2N7O13P
分子量:1136.13
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H+].CCN(CC)CC.CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCCNC(=O)CCCCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)OC(=O)CCCCc1ccc2C=C3C(C)=CC(C)=[N+]3[B-](F)(F)n12
SMILES:[H+].CCN(CC)CC.CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCCNC(=O)CCCCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)OC(=O)CCCCc1ccc2C=C3C(C)=CC(C)=[N+]3[B-](F)(F)n12

PED6 is a PLA2 substrate fluorescent probe (EX/EM=488/530 nm) that is a BODIFY-labeled fluorescent phosphatidylethanolamine analogue, useful for the detection of phospholipase A2 [1].

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