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ChemicalBook--->CAS DataBase List--->2409964-23-2

2409964-23-2

2409964-23-2 Structure

2409964-23-2 Structure
IdentificationBack Directory
[Name]

PS-5505
[CAS]

2409964-23-2
[Synonyms]

PS-5505
PXS5505 HCl
LOX-IN-3 dihydrochloride
[Molecular Formula]

C13H14ClFN2O2S
[MDL Number]

MFCD34471636
[MOL File]

2409964-23-2.mol
[Molecular Weight]

316.78
Chemical PropertiesBack Directory
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 100 mg/mL (283.09 mM; Need ultrasonic)
[form ]

Solid
[color ]

Off-white to light yellow
[InChI]

InChI=1S/C13H13FN2O2S.ClH/c14-11(6-7-15)9-19(17,18)12-5-1-3-10-4-2-8-16-13(10)12;/h1-6,8H,7,9,15H2;1H/b11-6-;
[InChIKey]

WEFLTRNHDTUNKA-AVHZNCSWSA-N
[SMILES]

S(C1=CC=CC2C=CC=NC1=2)(=O)(=O)C/C(/F)=C/CN.Cl
Hazard InformationBack Directory
[Biological Activity]

LOX-IN-3 dihydrochloride is an orally active lysyl oxidase (LOX) inhibitor. LOX-IN-3 dihydrochloride can be used for fibrosis, cancer and/or angiogenesis research[1]. LOX-IN-3 (Compound 33) inhibits the bovine LOX and human LOXL2 activities with IC50 values of <10 μM and <1 μM, respectively. LOX-IN-3 is less active against SSAO/VAP-1 and MAO-B activities[1]. In young male Wistar rats, a single high (30 mg/kg) dose of LOX-IN-3 (Compound 33) completely abolishes lysyl oxidase activity. While plasma concentrations of LOX-IN-3 are far below the IC50 after 8 hours, the half-life of recovery is between 2-3 days (ear) and 24 hours (aorta)[1].In a 14-day unilateral ureteric obstruction (UUO) model, LOX-IN-3 (Compound 33, 10 mg/kg daily; orally) treatment increases kidney weight and thickness and reduces the area of fibrosis as measured by Picrosirius Red[1].In BALB/c mice bearing hepatic fibrosis, LOX-IN-3 (Compound 33, 20 mg/kg daily, i.p.) treatment significantly reduces liver fibrosis. At the end of week 4 a mouse breast cancer cell line (4tl) is injected orthotopically. LOX-IN-3 (Compound 33) treatment significantly reduces liver fibrosis, collagen cross-links and the metastatic load in the liver[1].
[storage]

Store at -20°C
[References]

[1]. Alison Dorothy Findlay, et al. Haloallylamine sulfone derivative inhibitors of lysyl oxidases and uses thereof. WO2020024017A1.
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