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| 25mg |
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| 50mg |
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| 100mg |
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Purity: ≥98%
ML130 (also known as Nodinitib-1; ML-130; CID1088438; CID-1088438) is a novel, potent and selective inhibitor of NOD1 (nucleotide-binding oligomerization domain containing 1) with potential anti-inflammatory activity. With an IC50 of 0.56 μM, it blocks NOD1. It works by preventing the NF-κB from activating and has a 36-fold preference for NOD1 over NOD2. Without affecting viability, ML130 selectively inhibits NOD1-dependent activation of NF-κB and MAPK signaling in addition to blocking NOD1-induced IL-8 production in MCF-7 cells. 15 μM noditinib-1 inhibited expression of IL-1β, IL-6, and TNF-α in ex vivo dendritic cell culture while decreasing the expression of CD83, CD86, and HLA-DR.
| Targets |
NOD1 (IC50 = 0.56 μM)
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| ln Vitro |
ML130 has been chosen as a candidate probe because it selectively inhibited NOD1-induced NF-B activation in HEK293 cells without causing cytotoxicity. By selectively inhibiting both the NOD1-dependent pathway to IL-8 secretion and the NOD1-dependent pathway to NF-κB activation, ML130 is also confirmed in secondary assays. [1] Another study found that ML130 alters NOD1 subcellular targeting in cells and causes conformational changes in NOD1 in vitro. This finding offers chemical probes for probing the mechanisms governing NOD1 activity as well as tools for examining the functions of NOD1 in a variety of infectious and inflammatory diseases. [2]
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| ln Vivo |
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| Enzyme Assay |
On Day 1, conduct 1) Collect HEK-293-T NFKB-Luc when it is 100% confluent. 2) Use Multidrop to add NOD assay media. 3) Spin down the plates in the centrifuge for one minute at 1000 rpm. 4) Diluting a compound repeatedly. 5) Add 0.75 ug/mL of gamma-tri-DAP to the cell suspension. 6) Seed HEK-293-T NFKB-Luc plates with 13000 cells per well and 4 uL per well to fill the plate. 7) On a centrifuge, spin plates at 500 RPM for five minutes. 8) Plates with lids. Sandwich two 384-plate containers filled with water with 2 lidded plates to hold 4 plates. 9) Securely cover plates with one layer of plastic wrap. 10) Keep the incubator at 37 °C and 5% CO2 for the duration of the night (14 hours). Procedure for Day 2 1) Use Multidrop to add 3 ul of SteadyGlo solution to each well. 2) Shake plates in a plate shaker for 20 minutes. 3) Use a centrifuge to spin plates at 1000 RPM for 1 minute. 4. Read luminescence. GraphPad Prism 5.0 is used to compute IC50 values. Z average
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| Cell Assay |
Using immortalized human hepatocytes Fa2N-4, the ATP-lite 1-step assay is used to assess the hepatic toxicity of various substances. 50,000 Fa2N-4 cells are seeded in each well, and they are then incubated for 24 hours at 37 °C with 5% CO2 with a range of concentrations of the test substance (0.01 µM-50 µM) in MFE support medium. Luciferase and D-luciferin are added at the end of the experiment. The Infinite M200 plate reader records the emitted luminescent signal that results from the reaction with cellular ATP. Using non-linear regression analysis and a log (inhibitor) vs response equation with a variable slope, the Prism4 statistical software program is used to determine the concentration of each compound that killed 50% of the cells (LC50).
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| Animal Protocol |
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| References | |||
| Additional Infomation |
1-(4-methylphenyl)sulfonyl-2-benzimidazolamine is a sulfonamide.
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| Molecular Formula |
C14H13N3O2S
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| Molecular Weight |
287.34
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| Exact Mass |
287.072
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| Elemental Analysis |
C, 58.52; H, 4.56; N, 14.62; O, 11.14; S, 11.16
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| CAS # |
799264-47-4
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| Related CAS # |
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| PubChem CID |
1088438
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
532.5±43.0 °C at 760 mmHg
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| Flash Point |
275.8±28.2 °C
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| Vapour Pressure |
0.0±1.4 mmHg at 25°C
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| Index of Refraction |
1.688
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| LogP |
2.79
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
20
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| Complexity |
440
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=S(N1C2C(=CC=CC=2)N=C1N)(C1C=CC(C)=CC=1)=O
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| InChi Key |
SRFABRWQVPCPRG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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| Chemical Name |
1-(4-methylphenyl)sulfonylbenzimidazol-2-amine
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| Synonyms |
Nodinitib-1; ML130; ML 130; CID1088438; ML-130; CID-1088438; CID 1088438; Nodinitib 1; Nodinitib1
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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 |
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| 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) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.70 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 | 3.4802 mL | 17.4010 mL | 34.8020 mL | |
| 5 mM | 0.6960 mL | 3.4802 mL | 6.9604 mL | |
| 10 mM | 0.3480 mL | 1.7401 mL | 3.4802 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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