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Chemical structure of ANO1-IN-1

GC68663

ANO1-IN-1

Also known as 6-tert-butyl-2-(2,2-dimethylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

ANO1-IN-1 (Compound 9c) is a selective ANO1 channel blocker with IC50 values of 2·56 μM and 15·43 μM for ANO1 and ANO2, respectively· ANO1-IN-1 strongly inhibits the proliferation of glioma cells

ChemicalCAS407587-01-3MW336.49FormulaC18H28N2O2S
CAS number
407587-01-3
Molecular weight
336.49
Formula
C18H28N2O2S
Solubility
DMSO ： 250 mg/mL (742·96 mM; Need ultrasonic)
InChIKey
QJDASIZKRQHFFS-UHFFFAOYSA-N
Catalogue number
GC68663
Brand
GLPBIO
Computed properties PubChem CID 3148535 · XLogP 4.8 · TPSA 100 Ų · H-bond donors 2
XLogP
4.8
TPSA
100 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
23

SMILES CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C(C)(C)C

Computed descriptors from PubChem (CID 3148535), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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