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Chemical structure of dFKBP-1

GC60133

dFKBP-1

Also known as [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butylamino]-4-oxobutanoyl]amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate

dFKBP-1 is a potent and PROTAC-based FKBP12 degrader· dFKBP-1 incorporates the ligand SLF of FKBP12, the Thalidomide based Cereblon ligand and a linker

ChemicalCAS1799711-22-0MW1009.11FormulaC53H64N6O14
CAS number
1799711-22-0
Molecular weight
1009.11
Formula
C53H64N6O14
Solubility
DMSO： 100 mg/mL (99·10 mM)
InChIKey
RIBCWKRMNKOGRN-GGJINPDOSA-N
Catalogue number
GC60133
Brand
GLPBIO
Computed properties PubChem CID 121427836 · XLogP 4.2 · TPSA 262 Ų · H-bond donors 4
XLogP
4.2
TPSA
262 Ų
H-bond donors
4
H-bond acceptors
14
Rotatable bonds
25
Heavy atoms
73

SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC2=CC(=C(C=C2)OC)OC)C3=CC(=CC=C3)NC(=O)CCC(=O)NCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O

Computed descriptors from PubChem (CID 121427836), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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