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Chemical structure of AP1867

GC34172

AP1867

Also known as 2-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carbonyl]oxypropyl]phenoxy]acetic acid

AP1867 is a synthetic FKBP12F36V-directed ligand

ChemicalCAS195514-23-9MW693.78FormulaC38H47NO11
CAS number
195514-23-9
Molecular weight
693.78
Formula
C38H47NO11
Solubility
DMSO ： ≥ 125 mg/mL (180·17 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
XCCRAOPQCACRFC-OIFRRMEBSA-N
Catalogue number
GC34172
Brand
GLPBIO
Computed properties PubChem CID 444590 · XLogP 6.3 · TPSA 139 Ų · H-bond donors 1
XLogP
6.3
TPSA
139 Ų
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
18
Heavy atoms
50

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)OCC(=O)O

Computed descriptors from PubChem (CID 444590), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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