| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
Lysyl oxidase-like 2 (LOXL2) and lysyl oxidase-like 3 (LOXL3).
|
|---|---|
| ln Vitro |
PAT-1251 is a lysyl oxidase-like 2 (LOXL2) inhibitor that potently inhibits LOXL2 in mice, rats, and dogs (IC50 of 0.10, 1.17 μM, respectively), and has IC50 values of 0.71 and 1.17 μM for hLOXL2 and hLOXL3, respectively. 0.12 and 0.16 μM), in that order. With an inhibition rate of less than 10% at 10 μM, PAT-1251 exhibits selectivity for LOXL2 over other important members of the amine oxidase family, including diamine oxidase (DAO), copper-dependent amine oxidase, semicarbazide-sensitive amine oxidase (SSAO), and flavin-dependent Monoamine oxidase A (MAO-A) and B (MAO-B) [1].
Lenumlostat inhibits LOXL2 with an IC50 of 0.01 μM and LOXL3 with an IC50 of 0.33 μM. It is a potent, selective, and orally bioavailable inhibitor of LOXL2. The compound demonstrates selectivity for LOXL2 over LOXL3 and other amine oxidases, confirming its selectivity profile within the LOX family. |
| ln Vivo |
No specific in vivo efficacy data are available for Lenumlostat Hydrochloride. As an orally bioavailable LOXL2 inhibitor, it would be expected to reduce collagen crosslinking and ameliorate fibrosis in animal models, but no published in vivo results are currently documented for this specific salt form.
|
| Enzyme Assay |
The enzymatic assay for LOXL2 uses recombinant LOXL2 enzyme and a fluorogenic substrate. Test compounds are incubated with the enzyme and substrate, and enzyme activity is measured by monitoring the release of product using a fluorescence plate reader. IC50 values are determined from dose-response curves.
|
| Cell Assay |
In cellular assays, fibroblasts or hepatic stellate cells are treated with Lenumlostat Hydrochloride. LOXL2-mediated collagen oxidation and crosslinking are assessed using biochemical assays. Collagen deposition is measured by Sirius Red staining or hydroxyproline quantification to confirm antifibrotic activity.
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| Animal Protocol |
No specific in vivo animal study protocols are documented for Lenumlostat Hydrochloride. General fibrosis models such as CCl4-induced liver fibrosis or bleomycin-induced lung fibrosis in mice could be used, with the compound administered orally, and collagen content and crosslink formation assessed in tissue samples.
|
| References |
[1]. Identification of 4-(Aminomethyl)-6-(trifluoromethyl)-2-(phenoxy)pyridine Derivatives as Potent, Selective, and Orally Efficacious Inhibitors of the Copper-Dependent Amine Oxidase, Lysyl Oxidase-Like 2 (LOXL2). J Med Chem. 2017 May 25;60(10):4403-4423.
|
| Molecular Formula |
C18H18CLF4N3O3
|
|---|---|
| Molecular Weight |
435.800437450409
|
| Exact Mass |
435.097
|
| Elemental Analysis |
C, 49.61; H, 4.16; Cl, 8.13; F, 17.44; N, 9.64; O, 11.01
|
| CAS # |
2098884-53-6
|
| Related CAS # |
Lenumlostat;2007885-39-2
|
| PubChem CID |
132253084
|
| Appearance |
Typically exists as solid at room temperature
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
9
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
29
|
| Complexity |
551
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
C1[C@H]([C@@H](CN1C(=O)C2=CC(=CC=C2)OC3=CC(=CC(=N3)C(F)(F)F)CN)F)O.Cl
|
| InChi Key |
WCLUQDIEECAJLM-DTPOWOMPSA-N
|
| InChi Code |
InChI=1S/C18H17F4N3O3.ClH/c19-13-8-25(9-14(13)26)17(27)11-2-1-3-12(6-11)28-16-5-10(7-23)4-15(24-16)18(20,21)22;/h1-6,13-14,26H,7-9,23H2;1H/t13-,14-;/m1./s1
|
| Chemical Name |
[3-[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone;hydrochloride
|
| Synonyms |
PAT-1251 Hydrochloride; PAT1251 Hydrochloride; 2098884-53-6; 4JZ3PGD8T8; UNII-4JZ3PGD8T8; Lenumlostat hydrochloride;
|
| 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)
|
| 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
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *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). View More
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)] 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). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2946 mL | 11.4732 mL | 22.9463 mL | |
| 5 mM | 0.4589 mL | 2.2946 mL | 4.5893 mL | |
| 10 mM | 0.2295 mL | 1.1473 mL | 2.2946 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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