| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 1g |
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| Other Sizes |
Purity: ≥98%
| Targets |
LOX-IN-3 dihydrochloride targets lysyl oxidase (LOX), a copper-dependent amine oxidase that initiates the crosslinking of collagen and elastin in the extracellular matrix. LOX activity is essential for maintaining tissue structure and integrity but is also involved in pathological processes such as fibrosis, tumor progression, and metastasis. By inhibiting LOX, LOX-IN-3 dihydrochloride disrupts extracellular matrix remodeling. The compound inhibits bovine LOX with IC50 <10 μM and human LOXL2 with IC50 <1 μM.
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| ln Vitro |
LOX-IN-3 dihydrochloride monohydrate (compound 33) has an IC50 value of less than 10 μM for bovine LOX and less than 1 μM for human LOXL2 activity [1]. LOXL1 and LOXL2 are consistently inhibited by LOX-IN-3 dihydrochloride monohydrate [1]. The monohydrate of LOX-IN-3 dihydrochloride has reduced activity in relation to SSAO/VAP-1 and MAO-B [1].
In vitro, LOX-IN-3 dihydrochloride inhibits bovine LOX with IC50 <10 μM and human LOXL2 with IC50 <1 μM. It is a selective LOX inhibitor that interferes with extracellular matrix remodeling, a key process in tumor progression, fibrosis, and metastasis. The compound's activity against both LOX and LOXL2 makes it valuable for studying the role of LOX family enzymes in cancer biology, tissue stiffness, and fibrotic diseases. |
| ln Vivo |
LOX-IN-3 dihydrochloride monohydrate (Compound 33) (30 mg/kg; oral; once) suppresses rat lysyl oxidase activity [1]. LOX-IN-3 dihydrochloride monohydrate (10 mg/kg; oral; once daily for 14 days) decreases renal fibrosis in a mouse model of unilateral ureteral obstruction (UUO) [1]. LOX-IN-3 dihydrochloride monohydrate (15 mg/kg; orally; once daily for 21 days) decreases lung fibrosis in rats [1].
In vivo, LOX-IN-3 dihydrochloride is orally active and has potential applications in fibrosis, cancer, and angiogenesis research. By blocking LOX activity, the compound may reduce tumor progression, metastasis, and tissue fibrosis. However, specific in vivo efficacy data have not been detailed in the available literature. Further preclinical studies in appropriate animal models would be required to assess its therapeutic potential. |
| Enzyme Assay |
For in vitro enzyme assays, recombinant LOX or LOXL2 protein is incubated with a substrate such as putrescine or other amine substrates in assay buffer containing copper ions. The test compound is added at various concentrations (0.1-100 µM). Enzyme activity is measured by monitoring the production of hydrogen peroxide or other reaction products using spectrophotometric or fluorometric methods. IC50 values are calculated by fitting dose-response curves.
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| Cell Assay |
For cell-based assays, cancer cells, fibroblasts, or other relevant cell types are treated with LOX-IN-3 dihydrochloride at concentrations ranging from 0.1-100 µM. LOX activity is assessed by measuring amine oxidase activity in cell lysates or conditioned media. Extracellular matrix remodeling is assessed by analyzing collagen crosslinking using biochemical methods. Cell migration and invasion can be assessed using wound healing or transwell assays to evaluate the functional consequences of LOX inhibition.
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| Animal Protocol |
Animal/Disease Models: Male Wistar rat[1]
Doses: 30 mg/kg Route of Administration: Orally, single dose Experimental Results:Complete elimination of lysyl oxidase activity. Plasma concentrations of the test compound were well below the IC50 after 8 hrs (hrs (hours)), and the recovery half-life was between 2-3 days (ear) and 24 hrs (hrs (hours)) (aorta). Animal/Disease Models: Mouse unilateral ureteral obstruction (UUO) model of acute renal fibrosis [1] Doses: 10 mg/kg Route of Administration: po (oral gavage), one time/day for 14 days Experimental Results: Increased kidney weight and thickness, fiber The area is diminished. Animal/Disease Models: C57Bl/6 mice, bleomycin-induced pulmonary fibrosis model. Doses: 15 mg/kg. Route of Administration: po (oral gavage), one time/day for 21 days. Experimental Results: Dramatically diminished Ashcroft score and lung weight. For in vivo studies, animal models of fibrosis (such as bleomycin-induced lung fibrosis or CCl4-induced liver fibrosis) or cancer (such as tumor xenograft or metastasis models) would be used. LOX-IN-3 dihydrochloride would be administered orally at doses determined from pharmacokinetic studies. Fibrosis markers, tumor growth, and metastasis would be assessed. However, specific in vivo protocols for LOX-IN-3 dihydrochloride have not been detailed in the available literature. |
| ADME/Pharmacokinetics |
LOX-IN-3 dihydrochloride is orally active. It is soluble in DMSO and water. Storage is recommended at -20°C for long-term stability. Further detailed PK parameters including half-life, oral bioavailability, and tissue distribution would be required for in vivo studies. The compound is for research use only and is not intended for human or veterinary use.
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| Toxicity/Toxicokinetics |
Toxicological data for LOX-IN-3 dihydrochloride have not been extensively reported. As a research compound, it is intended for laboratory use only and is not for human or veterinary use. Standard safety precautions should be followed when handling this compound. Comprehensive toxicology studies would be required before any clinical development.
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| References | |
| Additional Infomation |
LOX-IN-3 dihydrochloride is an orally active lysyl oxidase (LOX) inhibitor that inhibits bovine LOX (IC50 <10 μM) and human LOXL2 (IC50 <1 μM). It is used in research for fibrosis, cancer, and angiogenesis. By blocking LOX activity, the compound interferes with extracellular matrix remodeling. LOX-IN-3 dihydrochloride is a research tool and is not approved for clinical use.
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| Molecular Formula |
C13H14CLFN2O2S
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|---|---|
| Molecular Weight |
316.778864383698
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| Exact Mass |
352.021
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| CAS # |
2409964-23-2
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| Related CAS # |
LOX-IN-3;2409963-83-1;LOX-IN-3 dihydrochloride monohydrate;2414974-55-1
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| PubChem CID |
146317832
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| Appearance |
Off-white to light yellow solid powder
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
21
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| Complexity |
430
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| Defined Atom Stereocenter Count |
0
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| SMILES |
Cl.S(C/C(=C/CN)/F)(C1=CC=CC2=CC=CN=C12)(=O)=O
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| InChi Key |
YYYHSAUHJBNINZ-LEOXJOGCSA-N
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| InChi Code |
InChI=1S/C13H13FN2O2S.2ClH/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;2*1H/b11-6-;;
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| Chemical Name |
(Z)-3-fluoro-4-quinolin-8-ylsulfonylbut-2-en-1-amine;dihydrochloride
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
H2O : ≥ 100 mg/mL (~283.09 mM)
DMSO : ~33.33 mg/mL (~94.36 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.08 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (7.08 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.1568 mL | 15.7838 mL | 31.5676 mL | |
| 5 mM | 0.6314 mL | 3.1568 mL | 6.3135 mL | |
| 10 mM | 0.3157 mL | 1.5784 mL | 3.1568 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.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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