FKBP12 PROTAC dTAG-7 | CAS 2064175-32-0

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HIT ID:HIT212670830
Cas No:2064175-32-0
常用名:FKBP12 PROTAC dTAG-7
IUPAC:(1R)-3-(3,4-dimethoxyphenyl)-1-[2-({[3-(2-{2-[3-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetamido)propoxy]ethoxy}ethoxy)propyl]carbamoyl}methoxy)phenyl]propyl (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
IUPAC:(1R)-3-(3,4-dimethoxyphenyl)-1-[2-({[3-(2-{2-[3-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetamido)propoxy]ethoxy}ethoxy)propyl]carbamoyl}methoxy)phenyl]propyl (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
InChI key:IFCAWDLUIZXIPI-FJDAOBEISA-N

分子式:C63H79N5O19
分子量:1210.341
氢键供体数 (HBD):3
氢键受体数 (HBA):18
LogP:5,475
SMILES:CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1ccccc1OCC(=O)NCCCOCCOCCOCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)c1cc(OC)c(OC)c(OC)c1
SMILES:CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1ccccc1OCC(=O)NCCCOCCOCCOCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)c1cc(OC)c(OC)c(OC)c1

FKBP12 PROTAC dTAG-7 (dTAG-7) is a heterobifunctional compound that selectively degrades the BET bromodomain transcriptional co-activator BRD4 by connecting BET bromodomains to the E3 ubiquitin ligase CRBN. Additionally, it serves as a degrader of FKBP12F36V when FKBP12F36V is expressed in-frame with a targeted protein.

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