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Chemical structure of FAS-IN-1 Tosylate

GC60832

FAS-IN-1 Tosylate

Also listed as FASN-IN-4 tosylate

FASN-IN-4 tosylate is a potent inhibitor of fatty acid synthase (FASN) with an IC50 of 10 nM (WO2012064642A1, compound 29)

ChemicalCAS2095432-57-6MW649.78FormulaC33H35N3O7S2
CAS number
2095432-57-6
Molecular weight
649.78
Formula
C33H35N3O7S2
Solubility
DMSO: 12·5 mg/mL (19·24 mM)
InChIKey
KCCMVJUNHJQOGU-UHFFFAOYSA-N
Catalogue number
GC60832
Brand
GLPBIO
Computed properties PubChem CID 124201614 · TPSA 151 Ų · H-bond donors 1 · H-bond acceptors 9
TPSA
151 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
45

SMILES CC1=CC=C(C=C1)S(=O)(=O)O.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 124201614), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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