Fasnall benzenesulfonate salt

SIGMA/SML1815 - ≥98% (HPLC)

Synonym: 5,6-Dimethyl-N-[1-(phenylmethyl)-3-pyrrolidinyl]thieno[2,3-d]pyrimidin-4-amine benzenesulfonate; N-(1-Benzylpyrrolidin-3-yl)-5,6-dimethylthieno[2,3-d] pyrimidin-4-amine benzenesulfonate

CAS Number: 929978-58-5 (free base)
Empirical Formula (Hill Notation): C₁₉H₂₂N₄S · C₆H₅SO₃H
Molecular Weight: 496.64
Linear Formula: C₁₉H₂₂N₄S · C₆H₅SO₃H
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-SML1815-5MG	5 mg	$125.00 1/EA	Add To Favorites
45-SML1815-25MG	25 mg	$511.00 1/EA	Add To Favorites

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Properties
Descriptions
Safety Info.
Basic Data

assay	≥98% (HPLC)
color	white to beige
form	powder
InChI key	KLKWHGQIUKBXKT-UHFFFAOYSA-N
Quality Level	100
SMILES string	CC(S1)=C(C)C2=C1N=CN=C2NC3CN(CC4=CC=CC=C4)CC3.O=S(C5=CC=CC=C5)(O)=O
solubility	DMSO: 10 mg/mL, clear
storage condition	desiccated
storage temp.	2-8°C

Application:	Fasnall benzenesulfonate salt has been used as a fatty acid synthase inhibitor to test its effect on hypoxic U87 MG cells in cell viability assay and lipid droplet formation assay.
Biochem/physiol Actions:	Fasnall is a fatty acid synthase (FASN or FAS) inhibitor (IC₅₀ = 3.71 ?M by cell-free assay with 200 μM NADPH; IC₅₀ = 147 and 213 nM against acetate and glucose lipids incorporation in HepG2 cells) composed of two enantiomers (HS-79 and HS-80) that selectively target FASN co-factor nucleotide-binding sites without affecting ACC, ZipK, AMPKα, AMPKγ, TRAP1, HSP70, NS5, IRAK2 nucleotide binding or the ATP-binding activity of BT474 cellular proteins. Fasnall is shown to completely block the proliferation in multiple breast cancer cultures at 50 μM as a result of apoptosis induction with much reduced cytotoxicity than C75 toward the non-tumorigenic cell line MCF10A. When administered via i.p. injection, Fasnall is efficacious in prolonging the survival of MMTV-Neu mice by effectively suppressing mammary adenocarcinoma tumor progression (15 mg/kg dosed alone twice weekly or 50 mg/kg dosed with carboplatin once weekly).
Biochem/physiol Actions:	Fasnall is a fatty acid synthase (FASN or FAS) inhibitor.

RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	≥98% (HPLC)
Storage Temp.	2-8°C
UNSPSC	12352200

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