PXS-4787 is a specific and potent pan-lysyl oxidase inhibitor that can eliminate lysine oxidase activity. The IC50 of PXS-4787 for inhibiting LOX are 2 μM (Bovine LOX), 3.2 μM (rh LOXL1), 0.6 μM (rh LOXL2), 1.4 μM (rh LOXL3), and 0.2 μM (rh LOXL4).

Physicochemical Properties

Molecular Formula	C10H12FNO2S
Molecular Weight	229.271184921265
Exact Mass	229.057
CAS #	2409963-50-2
PubChem CID	68770907
Appearance	Typically exists as solid at room temperature
LogP	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	15
Complexity	313
Defined Atom Stereocenter Count	0
SMILES	C1=CC=C(C=C1)S(=O)(=O)C/C(=C/CN)/F
InChi Key	HTUIHUIRTWMKFB-TWGQIWQCSA-N
InChi Code	InChI=1S/C10H12FNO2S/c11-9(6-7-12)8-15(13,14)10-4-2-1-3-5-10/h1-6H,7-8,12H2/b9-6-
Chemical Name	(Z)-4-(benzenesulfonyl)-3-fluorobut-2-en-1-amine
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Targets	2 μM (Bovine LOX), 3.2 μM (rh LOXL1), 0.6 μM (rh LOXL2), 1.4 μM (rh LOXL3), 0.2 μM (rh LOXL4)[1]
ln Vitro	Lysyl oxidases promote the rigidity and appearance of scars by stabilizing collagen, the primary component of scar tissue[1]. PXS-4787 (0-10 μM; 15 min-4 h) inhibits lysyl oxidase in a dose- and time-dependent manner, showing similar inhibitory efficacy in all species[1]. Primary human dermal fibroblasts tolerate PXS-4787 (0–100 μM; 72 h) well; but, in vitro cultured primary human dermal fibroblasts, PXS-4787 (10 μM; 11 d) decreases collagen synthesis, deposition, and crosslinking [1]. Differential gene expression in fibroblasts and keratinocytes, such as COL1A1, LOX, GAPDH, and PGK1, is induced by PXS-4787 (10 μM; 48 h)[1].
ln Vivo	In mouse models of injury and fibrosis, topical administration of PXS-4787 (3%, oil in water cream; once daily, for 28 days) lowers cross-linkin and collagen deposition[1]. In pig injury models, PXS-4787 (3%, oil in water cream; external treatment; once daily, for 12 weeks) likewise considerably improves scar appearance without weakening tissue[1].
Cell Assay	Immunofluorescence[1] Cell Types: Primary human dermal fibroblasts cultured in vitro Tested Concentrations: 0, 1, 10 μM Incubation Duration: 11 days Experimental Results: Dramatically diminished in the 10 μM treatment group. RT-PCR[1] Cell Types: Cultured fibroblasts and keratinocytes (isolated from five different patients) Tested Concentrations: 10 μM Incubation Duration: 48 hrs (hours) Experimental Results: Resulted four genes with significant differential expression in fibroblasts and two differentially expressed genes in keratinocytes.
Animal Protocol	Animal/Disease Models: Porcine excision injury model (female Juvenile pigs, 18-20 kg)[1] Doses: 3%, oil in water cream; 400 mg cream applied to 16 cm2 Route of Administration: External application; 1, 2 and 3 weeks post-injury; one time/day, for 12 weeks Experimental Results: Improved the appearance of scar in relevant in vivo models, indicative of a target driven, as opposed to compound-specific, effect.
References	[1]. Topical application of an irreversible small molecule inhibitor of lysyl oxidases ameliorates skin scarring and fibrosis. Nat Commun. 2022 Sep 22;13(1):5555.

Solubility Data

Solubility (In Vitro)

May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples

Solubility (In Vivo)

Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	4.3617 mL	21.8083 mL	43.6167 mL
	5 mM	0.8723 mL	4.3617 mL	8.7233 mL
	10 mM	0.4362 mL	2.1808 mL	4.3617 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.