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AP1867-3-(aminoethoxy)

AP1867-3-(aminoethoxy)

  • CAT Number: I017806
  • CAS Number: 2127390-15-0
  • Molecular Formula: C₃₈H₅₀N₂O₉
  • Molecular Weight: 678.81
  • Purity: ≥95%
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AP1867-3-(aminoethoxy) (Cat.No:I017806), the AP1867 based moiety, is a synthetic ligand for FKBP. AP1867-3-(aminoethoxy) can be used in the synthesis of PROTAC FKBP12 F36V degrader.

Catalog Number I017806
CAS Number 2127390-15-0
Molecular Formula

C₃₈H₅₀N₂O₉

Purity 95%
IUPAC Name [(1R)-1-[3-(2-aminoethoxy)phenyl]-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
InChI InChI=1S/C38H50N2O9/c1-7-29(27-23-34(45-4)36(47-6)35(24-27)46-5)37(41)40-19-9-8-13-30(40)38(42)49-31(26-11-10-12-28(22-26)48-20-18-39)16-14-25-15-17-32(43-2)33(21-25)44-3/h10-12,15,17,21-24,29-31H,7-9,13-14,16,18-20,39H2,1-6H3/t29-,30-,31+/m0/s1
InChIKey IUXMLUSGUQVKAO-RWSKJCERSA-N
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
Reference

[1]. Ottis P, et al. Assessing Different E3 Ligases for Small Molecule Induced Protein Ubiquitination and Degradation. ACS Chem Biol. 2017 Oct 20;12(10):2570-2578.

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