2384184-42-1

中文名称 KB03-SLF

英文名称 2-Piperidinecarboxylic acid, 1-(3,3-dimethyl-1,2-dioxopentyl)-, (1R)-1-[3-[[15-[3-[(2-chloroacetyl)amino]-5-(trifluoromethyl)phenyl]-1,11,15-trioxo-4,7-dioxa-10,14-diazapentadec-1-yl]amino]phenyl]-3-(3,4-dimethoxyphenyl)propyl ester, (2S)-

CAS 2384184-42-1

分子式 C50H63ClF3N5O12

分子量 1018.51

MOL 文件 2384184-42-1.mol

2384184-42-1 结构式

基本信息物理化学性质安全数据

基本信息

中文别名

KB03-SLF

英文别名

(1R)-1-[3-(3-{2-[2-(3-{[3-(2-chloroacetamido)-5-(trifluoromethyl)phenyl]formamido}propanamido)ethoxy]ethoxy}propanamido)phenyl]-3-(3,4-dimethoxyphenyl)propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
2-Piperidinecarboxylic acid, 1-(3,3-dimethyl-1,2-dioxopentyl)-, (1R)-1-[3-[[15-[3-[(2-chloroacetyl)amino]-5-(trifluoromethyl)phenyl]-1,11,15-trioxo-4,7-dioxa-10,14-diazapentadec-1-yl]amino]phenyl]-3-(3,4-dimethoxyphenyl)propyl ester, (2S)-
(R)-1-(3-(1-(3-(2-Chloroacetamido)-5-(trifluoromethyl)phenyl)-1,5-dioxo-9,12-dioxa-2,6-diazapentadecan-15-amido)phenyl)-3-(3,4-dimethoxyphenyl)propyl (S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate, Electrophilic PROTAC?, Heterobifunctional conjugate for E3 ubiquitin ligase discovery

物理化学性质

密度1.279±0.06 g/cm3(Predicted)

储存条件-20°C

酸度系数(pKa)11.98±0.70(Predicted)

形态powder

InChIKeyJXTWMUOLYMSLIA-ZESVVUHVSA-N

SMILESClCC(NC1=CC(C(NCCC(NCCOCCOCCC(NC2=CC=CC([C@H](OC([C@@H]3CCCCN3C(C(C(C)(C)CC)=O)=O)=O)CCC4=CC(OC)=C(OC)C=C4)=C2)=O)=O)=O)=CC(C(F)(F)F)=C1)=O

安全数据

WGK GermanyWGK 3

存储类别11 - Combustible Solids