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Chemical structure of FKBP12 PROTAC dTAG-13

GC39264

FKBP12 PROTAC dTAG-13

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

FKBP12 PROTAC dTAG-13 (dTAG-13), a PROTAC-based heterobifunctional degrader, is a selective degrader of FKBP12F36V with expression of FKBP12F36V in-frame with a protein of interest· FKBP12 PROTAC dTAG-13 effectively engages FKBP12F36V and CRBN, thereby selectively degrading FKBP12F36V

ChemicalCAS2064175-41-1MW1049.17FormulaC57H68N4O15
CAS number
2064175-41-1
Molecular weight
1049.17
Formula
C57H68N4O15
Solubility
Soluble in DMSO
InChIKey
BJFBRLAWLPZOMJ-QHVFGHLPSA-N
Catalogue number
GC39264
Brand
GLPBIO
Computed properties PubChem CID 124187630 · XLogP 7.4 · TPSA 224 Ų · H-bond donors 2
XLogP
7.4
TPSA
224 Ų
H-bond donors
2
H-bond acceptors
15
Rotatable bonds
27
Heavy atoms
76

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)NCCCCCCOC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O

Computed descriptors from PubChem (CID 124187630), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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