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Chemical structure of AP1867-3-(aminoethoxy)

GC62073

AP1867-3-(aminoethoxy)

Also known as [(1R)-1-[3-(2-aminoethoxy)phenyl]-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate

AP1867-3-(aminoethoxy), the AP1867 based moiety, is a synthetic ligand for FKBP· AP1867-3-(aminoethoxy) can be used in the synthesis of PROTAC FKBP12 F36V degrader

ChemicalCAS2127390-15-0MW678.81FormulaC38H50N2O9
CAS number
2127390-15-0
Molecular weight
678.81
Formula
C38H50N2O9
Solubility
DMSO ： 240 mg/mL (353·56 mM)
InChIKey
IUXMLUSGUQVKAO-RWSKJCERSA-N
Catalogue number
GC62073
Brand
GLPBIO
Computed properties PubChem CID 139600312 · XLogP 5.8 · TPSA 128 Ų · H-bond donors 1
XLogP
5.8
TPSA
128 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
18
Heavy atoms
49

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=C4)OCCN

Computed descriptors from PubChem (CID 139600312), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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