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Chemical structure of Fasnall (benzenesulfonate)

GC43655

Fasnall (benzenesulfonate)

Also known as benzenesulfonic acid;N-(1-benzylpyrrolidin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

Fasnall is an inhibitor of fatty acid synthase (FASN) with an IC50 value of 3·71 μM for the human recombinant enzyme

ChemicalCAS2187367-11-7MW496.6FormulaC19H22N4S•C6H6O3S
CAS number
2187367-11-7
Molecular weight
496.6
Formula
C19H22N4S•C6H6O3S
Solubility
30mg/mL in DMSO or in DMF
InChIKey
KLKWHGQIUKBXKT-UHFFFAOYSA-N
Catalogue number
GC43655
Brand
GLPBIO
Computed properties PubChem CID 132470895 · TPSA 132 Ų · H-bond donors 2 · H-bond acceptors 8
TPSA
132 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
34

SMILES CC1=C(SC2=NC=NC(=C12)NC3CCN(C3)CC4=CC=CC=C4)C.C1=CC=C(C=C1)S(=O)(=O)O

Computed descriptors from PubChem (CID 132470895), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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