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Chemical structure of SLF TFA

GC61461

SLF TFA

Also known as [(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;2,2,2-trifluoroacetic acid

SLF TFA is a synthetic ligand for FK506-binding protein (FKBP) with an affinity of 3·1 μM for FKBP51 and an IC50 of 2·6 μM for FKBP12· SLF TFA can be used in the synthesis of PROTAC

ChemicalCAS2378802-47-0MW638.67FormulaC32H41F3N2O8
CAS number
2378802-47-0
Molecular weight
638.67
Formula
C32H41F3N2O8
Solubility
DMSO: 200 mg/mL (313·15 mM)
InChIKey
HKRBJXCFMLSYKV-KZDWWKKTSA-N
Catalogue number
GC61461
Brand
GLPBIO
Computed properties PubChem CID 155981980 · TPSA 145 Ų · H-bond donors 2 · H-bond acceptors 12
TPSA
145 Ų
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
12
Heavy atoms
45

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)N.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 155981980), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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