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Chemical structure of dTAG-47

GC69027

dTAG-47

Also known as [(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate

dTAG-47 is a bifunctional dTAG molecule that targets the mutant form of FKBP12 (FKBP12F36V)· FKBP12F36V can be used as a degradation tag (dTAG) and fused with target proteins· dTAG-47 can be used for research on basal-like breast cancer (BBC)

ChemicalCAS2265886-81-3MW1076.24FormulaC59H73N5O14
CAS number
2265886-81-3
Molecular weight
1076.24
Formula
C59H73N5O14
InChIKey
OQXAQHQPOQLCAE-ODPQSFPTSA-N
Catalogue number
GC69027
Brand
GLPBIO
Computed properties PubChem CID 153280948 · XLogP 8.5 · TPSA 227 Ų · H-bond donors 3
XLogP
8.5
TPSA
227 Ų
H-bond donors
3
H-bond acceptors
15
Rotatable bonds
29
Heavy atoms
78

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)NCCCCCCCCNC5=CC6=C(C=C5)C(=O)N(C6=O)C7CCC(=O)NC7=O

Computed descriptors from PubChem (CID 153280948), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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