| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg | |||
| Other Sizes |
| Targets |
NSC61610 targets two distinct biological entities: Lanthionine Synthetase C-like 2 (LANCL2) and Interleukin-18 (IL-18). As a LANCL2 ligand, it activates downstream signaling pathways that lead to anti-inflammatory effects. As an IL-18 inhibitor, it disrupts the binding of human IL-18 to the ectromelia virus IL-18 binding protein (IL-18BP), inhibiting the formation of the hIL-18:ectvIL-18BP complex.
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| ln Vitro |
By using virtual screening, NSC61610's anticipated Ki value between β-strands β5 and β8 is 88 nM [1]. With an IC50 of 6 uM, NSC61610 inhibits the formation of the hIL-18:ectvIL-18BP complex[1].
In vitro, NSC61610 exhibits two primary activities. It acts as a LANCL2 ligand, activating PPARγ via LANCL2 and adenylate cyclase/cAMP-dependent pathways. This leads to the downregulation of colonic inflammatory gene expression and the promotion of regulatory T cell responses. Simultaneously, it functions as an IL-18 inhibitor, disrupting the hIL-18:ectvIL-18BP complex formation with an IC50 of approximately 6 µM. |
| ln Vivo |
In vivo activity of NSC61610 has been demonstrated in preclinical models of inflammatory bowel disease (colitis), where it ameliorates disease activity and decreases inflammatory lesions in the gut. It achieves this by inducing IL-10-mediated anti-inflammatory responses. Additionally, NSC61610 has been shown to modulate the immune response to influenza A H1N1pdm virus infection in mice.
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| Enzyme Assay |
The in vitro enzyme/receptor binding (cell-free) assays for NSC61610 involve studying its two distinct activities. For its role as an IL-18 inhibitor, cell-free assays measure the disruption of the hIL-18:ectvIL-18BP protein-protein complex formation. For its role as a LANCL2 ligand, binding assays can be performed to assess its interaction with the purified LANCL2 protein. Virtual screening has predicted a Ki value of 88 nM for its binding to IL-18.
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| Cell Assay |
In vitro cellular assays for NSC61610 are performed using various cell types to evaluate its anti-inflammatory activity. These assays measure the compound's ability to activate PPARγ in a LANCL2- and adenylate cyclase/cAMP-dependent manner. Furthermore, its effects on immune cells are assessed by measuring the downregulation of colonic inflammatory gene expression and the promotion of regulatory T cell responses.
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| Animal Protocol |
In vivo animal studies for NSC61610 are primarily conducted in mouse models of inflammatory bowel disease, such as experimental colitis. In these models, oral administration of the compound ameliorates disease activity and decreases inflammatory lesions in the gut. Studies have also been performed to evaluate its modulation of the immune response to influenza A H1N1pdm virus infection in mice.
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| ADME/Pharmacokinetics |
NSC61610 is characterized as an orally available compound. It has a molecular formula of C34H24N6O2 and a molecular weight of 548.59 g/mol. The compound is typically stored at 2-8°C and is soluble in DMSO at 2 mg/mL, forming a clear solution. It is supplied as an off-white to purple powder.
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| Toxicity/Toxicokinetics |
Toxicology studies for NSC61610 are not extensively detailed in standard research profiles, as it is primarily a research compound. However, given its mechanism of action as an immunomodulator, its toxicity profile would be assessed in the context of its anti-inflammatory effects. Standard laboratory safety precautions should be followed when handling this compound, as it is for research use only.
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| References | |
| Additional Infomation |
NSC61610 (CAS: 500538-94-3) is a research compound with a unique dual mechanism of action as a LANCL2 ligand and an IL-18 inhibitor. It has shown potential for treating inflammatory bowel disease and influenza-driven inflammation. LANCL2 is considered a novel therapeutic target for the discovery of new classes of orally active drugs against chronic metabolic, immune-mediated, and infectious diseases. The compound is also known by synonyms such as SMR000528839, NSC-61610, and MLS000766212.
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| Molecular Formula |
C34H24N6O2
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|---|---|
| Molecular Weight |
548.593366622925
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| Exact Mass |
548.196
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| CAS # |
500538-94-3
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| PubChem CID |
247228
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| Appearance |
White to off-white solid powder
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| LogP |
6
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
42
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| Complexity |
865
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(C(NC2=CC=CC(C3NC4=CC=CC=C4N=3)=C2)=O)=CC=C(C(NC2=CC=CC(C3NC4=CC=CC=C4N=3)=C2)=O)C=C1
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| InChi Key |
WSXIJTIFOWCMIQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C34H24N6O2/c41-33(35-25-9-5-7-23(19-25)31-37-27-11-1-2-12-28(27)38-31)21-15-17-22(18-16-21)34(42)36-26-10-6-8-24(20-26)32-39-29-13-3-4-14-30(29)40-32/h1-20H,(H,35,41)(H,36,42)(H,37,38)(H,39,40)
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| Chemical Name |
1-N,4-N-bis[3-(1H-benzimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
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| Synonyms |
NSC 61610; NSC-61610; NSC61610
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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 |
| 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) |
DMSO : ~100 mg/mL (~182.29 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.56 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 | 1.8229 mL | 9.1143 mL | 18.2285 mL | |
| 5 mM | 0.3646 mL | 1.8229 mL | 3.6457 mL | |
| 10 mM | 0.1823 mL | 0.9114 mL | 1.8229 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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