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Chemical structure of Itanapraced (CHF5074)

GC30954

Itanapraced (CHF5074)

Also known as 1-[4-(3,4-dichlorophenyl)-3-fluorophenyl]cyclopropane-1-carboxylic acid

Itanapraced (CHF5074) (CHF5074) is a novel γ-secretase modulator, reduces Aβ42 and Aβ40 secretion, with an IC50 of 3·6 and 18·4 μM, respectively

ChemicalCAS749269-83-8MW325.16FormulaC16H11Cl2FO2
CAS number
749269-83-8
Molecular weight
325.16
Formula
C16H11Cl2FO2
Solubility
DMSO : ≥ 37 mg/mL (113·79 mM)
InChIKey
LIYLTQQDABRNRX-UHFFFAOYSA-N
Catalogue number
GC30954
Brand
GLPBIO
Computed properties PubChem CID 9996409 · XLogP 4.7 · TPSA 37.3 Ų · H-bond donors 1
XLogP
4.7
TPSA
37.3 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21

SMILES C1CC1(C2=CC(=C(C=C2)C3=CC(=C(C=C3)Cl)Cl)F)C(=O)O

Computed descriptors from PubChem (CID 9996409), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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