| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
|
||
| 100mg |
|
||
| Other Sizes |
| Targets |
NSC321039 targets human monoamine oxidase-B (hMAO-B), a mitochondrial enzyme that catalyzes the oxidative deamination of monoamine neurotransmitters, including dopamine. hMAO-B is a validated target for neurodegenerative diseases such as Parkinson's disease. NSC321039 is a selective, reversible, and BBB-penetrating inhibitor of hMAO-B with an IC50 of 0.067 μM and a Ki of 0.03 μM.
|
|---|---|
| ln Vitro |
hMAO-B-IN-4 (0-40 μM), which has a SI value of 504.791[1], exhibits higher selectivity for hMAO-B than hMAO-A. With IC50 values of 33.821 and 0.067 μM, respectively, hMAO-B-IN-4 (0-40 μM) inhibits hMAO-A and hMAO-B.
In vitro, NSC321039 is a selective, reversible inhibitor of hMAO-B with an IC50 of 0.067 μM and a Ki of 0.03 μM. It is a BBB-penetrating compound, making it suitable for central nervous system applications. These in vitro properties make NSC321039 a valuable tool for studying hMAO-B function and its role in neurodegenerative diseases. |
| ln Vivo |
In vivo activity of NSC321039 has not been extensively reported. As a BBB-penetrating hMAO-B inhibitor, it may have potential for treating neurodegenerative diseases such as Parkinson's disease. However, detailed in vivo efficacy data are limited in publicly available sources. The compound's ability to cross the BBB suggests potential for central nervous system applications.
|
| Enzyme Assay |
The in vitro enzyme assay for NSC321039 involves measuring its inhibition of hMAO-B enzymatic activity. Recombinant hMAO-B is incubated with the compound at various concentrations in the presence of a substrate (e.g., kynuramine or benzylamine). MAO-B activity is measured by quantifying the production of the oxidized product (e.g., 4-hydroxyquinoline) using fluorescence or absorbance measurements. The IC50 and Ki for hMAO-B inhibition are calculated from dose-response curves. Selectivity against hMAO-A can be assessed using similar assays with hMAO-A.
|
| Cell Assay |
The in vitro cell-based assay for NSC321039 involves culturing cells that express hMAO-B, such as neuronal cell lines or cells transfected with hMAO-B. Cells are treated with NSC321039 at various concentrations, and MAO-B activity is assessed by measuring the metabolism of a fluorogenic substrate (e.g., Amplex Red or a MAO-B-specific probe) in cell lysates or intact cells. Cell viability is assessed using MTT or CellTiter-Glo assays to evaluate cytotoxicity.
|
| Animal Protocol |
In vivo animal studies for NSC321039 have not been extensively reported. If conducted, such studies might involve mouse or rat models of Parkinson's disease or other neurodegenerative disorders. NSC321039 would be administered orally or intraperitoneally, and behavioral, biochemical, and histological endpoints would be assessed. Standard protocols for neurodegenerative disease models would be employed. No specific data are available.
|
| ADME/Pharmacokinetics |
The pharmacokinetic properties of NSC321039 include blood-brain barrier penetration, making it suitable for central nervous system research. As a small molecule with a molecular weight of 320.4 and a molecular formula of C20H16O2S, it is expected to have moderate oral bioavailability. The compound has a LogP of 5.2, indicating lipophilicity favorable for BBB penetration. Detailed PK parameters such as half-life, Cmax, and bioavailability are not available from publicly accessible sources.
|
| Toxicity/Toxicokinetics |
The toxicity profile of NSC321039 has not been systematically evaluated. As a selective hMAO-B inhibitor, its primary safety concerns would relate to on-target effects on monoamine neurotransmitter metabolism. Standard toxicology assessments would include acute and sub-chronic toxicity studies in rodents, with endpoints including clinical signs, body weight, clinical pathology, and histopathology. No specific toxicity data are available.
|
| References | |
| Additional Infomation |
NSC321039 is a research compound and has not been approved for clinical use. It is a selective, reversible, and BBB-penetrating inhibitor of hMAO-B with an IC50 of 0.067 μM and a Ki of 0.03 μM, also known as hMAO-B-IN-4. NSC321039 is a valuable tool for studying hMAO-B function and its role in neurodegenerative diseases such as Parkinson's disease.
|
| Molecular Formula |
C20H16O2S
|
|---|---|
| Molecular Weight |
320.404844284058
|
| Exact Mass |
320.09
|
| Elemental Analysis |
C, 74.97; H, 5.03; O, 9.99; S, 10.01
|
| CAS # |
1666119-75-0
|
| PubChem CID |
5344692
|
| Appearance |
White to off-white solid powder
|
| LogP |
5.2
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
23
|
| Complexity |
392
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C(C1SC=CC=1)(=O)/C=C/C1=CC=C(OCC2=CC=CC=C2)C=C1
|
| InChi Key |
MKSMRBDQELHEBO-JLHYYAGUSA-N
|
| InChi Code |
InChI=1S/C20H16O2S/c21-19(20-7-4-14-23-20)13-10-16-8-11-18(12-9-16)22-15-17-5-2-1-3-6-17/h1-14H,15H2/b13-10+
|
| Chemical Name |
2-Propen-1-one, 3-[4-(phenylmethoxy)phenyl]-1-(2-thienyl)-, (2E)-
|
| Synonyms |
NSC321039; NSC-321039; NSC 321039; hMAO-B-IN-4;
|
| 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) |
DMSO : ~50 mg/mL (~156.05 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.80 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.1211 mL | 15.6055 mL | 31.2110 mL | |
| 5 mM | 0.6242 mL | 3.1211 mL | 6.2422 mL | |
| 10 mM | 0.3121 mL | 1.5605 mL | 3.1211 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
