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Chemical structure of LOX-IN-3 dihydrochloride

GC64656

LOX-IN-3 dihydrochloride

Also known as (Z)-3-fluoro-4-quinolin-8-ylsulfonylbut-2-en-1-amine;dihydrochloride

LOX-IN-3 dihydrochloride is an orally active lysyl oxidase (LOX) inhibitor· LOX-IN-3 dihydrochloride can be used for fibrosis, cancer and angiogenesis research

ChemicalCAS2409964-23-2MW353.24FormulaC13H15Cl2FN2O2S
CAS number
2409964-23-2
Molecular weight
353.24
Formula
C13H15Cl2FN2O2S
Solubility
DMSO : 100 mg/mL (283·09 mM; Need ultrasonic)
InChIKey
YYYHSAUHJBNINZ-LEOXJOGCSA-N
Catalogue number
GC64656
Brand
GLPBIO
Computed properties PubChem CID 146317832 · TPSA 81.4 Ų · H-bond donors 3 · H-bond acceptors 5
TPSA
81.4 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
21

SMILES C1=CC2=C(C(=C1)S(=O)(=O)C/C(=C/CN)/F)N=CC=C2.Cl.Cl

Computed descriptors from PubChem (CID 146317832), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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