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Chemical structure of Fumagilin-105

GC73961

Fumagilin-105

Also known as [5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (2E,4E,6E,8E)-10-oxo-10-[2-[2-[2-[(3-phenylmethoxyphenyl)methylamino]ethoxy]ethoxy]ethylamino]deca-2,4,6,8-tetraenoate

Fumagilin-105 is an autophagy targeting chimera (AUTOTAC) that induces p62 self-oligomerization with DC50 values of 0·7 μM for MetAP2 in HEK293 cells

ChemicalCAS2410081-58-0MW784.98FormulaC46H60N2O9
CAS number
2410081-58-0
Molecular weight
784.98
Formula
C46H60N2O9
Solubility
DMSO ： 63 mg/mL (80·26 mM; Need ultrasonic)
InChIKey
SVBWUBDTABZRQC-IKTQTWKJSA-N
Catalogue number
GC73961
Brand
GLPBIO
Computed properties PubChem CID 169974122 · XLogP 5.9 · TPSA 129 Ų · H-bond donors 2
XLogP
5.9
TPSA
129 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
25
Heavy atoms
57

SMILES CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)/C=C/C=C/C=C/C=C/C(=O)NCCOCCOCCNCC4=CC(=CC=C4)OCC5=CC=CC=C5)OC)C

Computed descriptors from PubChem (CID 169974122), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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