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Chemical structure of FAS-IN-1

GC31406

FAS-IN-1

Also known as 4-cyclopropyl-9-(4-quinolin-7-ylphenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

FAS-IN-1 is a potent inhibitor of fatty acid synthase (FASN) with an IC50 of 10 nM (WO2012064642A1, compound 29)

ChemicalCAS1375105-96-6MW477.58FormulaC26H27N3O4S
CAS number
1375105-96-6
Molecular weight
477.58
Formula
C26H27N3O4S
Solubility
Soluble in DMSO
InChIKey
OGGOWHOQMIINAZ-UHFFFAOYSA-N
Catalogue number
GC31406
Brand
GLPBIO
Computed properties PubChem CID 69085357 · XLogP 3 · TPSA 88.2 Ų · H-bond donors 0
XLogP
3
TPSA
88.2 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
34

SMILES C1CC1N2CC3(CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C5=CC6=C(C=CC=N6)C=C5)OCC2=O

Computed descriptors from PubChem (CID 69085357), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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