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Chemical structure of FKBP12 PROTAC dTAG-7

GC39289

FKBP12 PROTAC dTAG-7

Also known as [(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate

FKBP12 PROTAC dTAG-7 (dTAG-7) is a heterobifunctional degrader· FKBP12 PROTAC dTAG-7 (dTAG-7) is a degrader of FKBP12F36V with expression of FKBP12F36V in-frame with a protein of interest· FKBP12 PROTAC dTAG-7 (dTAG-7) also is a selective degrader of BET bromodomain transcriptional co-activator BRD4 by bridging BET bromodomains to an E3 ubiquitin ligase CRBN

ChemicalCAS2064175-32-0MW1210.32FormulaC63H79N5O19
CAS number
2064175-32-0
Molecular weight
1210.32
Formula
C63H79N5O19
Solubility
Soluble in DMSO
InChIKey
IFCAWDLUIZXIPI-FJDAOBEISA-N
Catalogue number
GC39289
Brand
GLPBIO
Computed properties PubChem CID 131954816 · XLogP 5.5 · TPSA 281 Ų · H-bond donors 3
XLogP
5.5
TPSA
281 Ų
H-bond donors
3
H-bond acceptors
19
Rotatable bonds
36
Heavy atoms
87

SMILES CC[C@@H](C1=CC(=C(C(=C1)OC)OC)OC)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4OCC(=O)NCCCOCCOCCOCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O

Computed descriptors from PubChem (CID 131954816), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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