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Chemical structure of APX879

GC75396

APX879

Also known as N-[(Z)-[(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-2,3,10-trioxo-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-en-16-ylidene]amino]acetamide

APX879 is a fungal-specific calcineurin inhibitor that has less immunosuppressive activities and toxicities

ChemicalCAS1801372-27-9MW860.08FormulaC46H73N3O12
CAS number
1801372-27-9
Molecular weight
860.08
Formula
C46H73N3O12
InChIKey
SNUGJLTYIQECPY-OZIGKTPASA-N
Catalogue number
GC75396
Brand
GLPBIO
Computed properties PubChem CID 155804519 · XLogP 2.5 · TPSA 203 Ų · H-bond donors 4
XLogP
2.5
TPSA
203 Ų
H-bond donors
4
H-bond acceptors
13
Rotatable bonds
8
Heavy atoms
61

SMILES C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](C/C(=N/NC(=O)C)/[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC

Computed descriptors from PubChem (CID 155804519), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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