| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| 250mg |
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| 500mg |
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| 1g | |||
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| Targets |
ML 9 HCl salt targets multiple proteins, including myosin light chain kinase (MLCK), Akt kinase, and stromal interaction molecule 1 (STIM1). MLCK is a calcium/calmodulin-dependent serine/threonine kinase that phosphorylates myosin regulatory light chain, a critical step in smooth muscle contraction and non-muscle cell motility. Akt is a central node in the PI3K/Akt/mTOR signaling pathway, regulating cell survival, proliferation, and metabolism. STIM1 is a calcium sensor in the endoplasmic reticulum that activates store-operated calcium entry (SOCE), a major pathway for calcium influx in non-excitable cells. By inhibiting these targets, ML-9 modulates various cellular processes, including migration, survival, and calcium signaling, making it a versatile pharmacological probe.
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| ln Vitro |
While ML9 (0-100 μM; 0-24 hours) does not dramatically trigger cell death, it does significantly diminish the viability of cardiac cells [2]. ML9 (50 μM; 1-4 hours) dramatically raises the amounts of mitochondrial caspase-3, allowing
In vitro, ML-9 has been extensively characterized. It inhibits MLCK with a Ki of 4 μM, PKA with a Ki of 32 μM, and PKC with a Ki of 54 μM. While ML-9 does not dramatically trigger cell death at concentrations up to 100 μM, it does significantly diminish the viability of cardiac cells. At 50 μM, ML-9 dramatically raises the amounts of mitochondrial caspase-3, and it induces cardiomyocyte death via necrosis and apoptosis. In cell viability assays using neonatal rat ventricular myocytes, concentrations of 50-100 μM diminished cell viability. ML-9 also inhibits natural killer (NK) cell activity in a dose-dependent manner without affecting target cell binding. Its activity has been characterized in various cell-based assays, confirming its role as a multi-kinase inhibitor. |
| ln Vivo |
Detailed in vivo studies for ML 9 HCl salt are limited. As a research tool, it is primarily used in cell-based assays to study cell signaling and cancer biology. Its potential application as an adjuvant to anticancer chemotherapy has been suggested based on in vitro findings, but comprehensive in vivo efficacy data in animal models have not been widely published.
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| Enzyme Assay |
The in vitro enzyme inhibition assays for ML 9 HCl salt involve measuring the activity of MLCK, Akt, and STIM1 in the presence of the compound. For MLCK, the assay typically uses a peptide substrate derived from myosin light chain and measures the incorporation of radioactive phosphate from ATP. The inhibition of Akt kinase activity is assessed using a similar kinase assay with a specific Akt substrate. The IC50 or Ki values are determined from dose-response curves.
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| Cell Assay |
cell viability assay [1]
Cell Types: Neonatal rat ventricular myocytes (NRVM) Cell Tested Concentrations: 0, 10, 50 and 100 μM Incubation Duration: 0, 1, 4, 8 and 24 STIM1 protein levels diminished by approximately 42% [2]. Hourly Experimental Results: diminished cell viability at concentrations of 50-100 μM. Apoptosis analysis[1] Cell Types: Neonatal rat ventricular myocytes (NRVM) Cell Tested Concentrations: 50 μM Incubation Duration: 1, 4 and 8 hrs (hours) Experimental Results: Induction of cardiomyocyte death via necrosis and apoptosis. Cell-based assays for ML-9 are conducted to evaluate its effects on receptor-mediated signaling pathways and cellular function. For example, its effect on cell viability is assessed in various cell lines using MTT or CCK-8 assays. The induction of apoptosis is measured by assessing caspase activation, Annexin V staining, or DNA fragmentation. Its ability to modulate calcium signaling can be measured using fluorescent calcium indicators in cells expressing STIM1 and Orai1. |
| Animal Protocol |
In vivo animal experiments for ML 9 HCl salt are not well-documented. As a research compound, it is primarily used in cell-based assays.
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| ADME/Pharmacokinetics |
ML 9 HCl salt has a molecular weight of 361.29 g/mol and a molecular formula of C15H18Cl2N2O2S. It is soluble in DMF and DMSO at 30 mg/mL. The compound is typically stored at -20°C. It is a solid at room temperature.
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| Toxicity/Toxicokinetics |
The toxicity profile of ML 9 HCl salt is limited. As a research compound, comprehensive toxicological evaluations have not been published. In vitro studies have shown that it can diminish the viability of cardiac cells at concentrations of 50-100 μM and induce cardiomyocyte death.
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| References |
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| Additional Infomation |
ML 9 HCl salt is a research compound for studying cell signaling and cancer biology. It has not entered clinical trials. Its mechanism involves inhibition of MLCK, Akt, and STIM1.
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| Molecular Formula |
C15H18CL2N2O2S
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| Molecular Weight |
361.28662
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| Exact Mass |
360.046
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| Elemental Analysis |
C, 49.87; H, 5.02; Cl, 19.63; N, 7.75; O, 8.86; S, 8.88
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| CAS # |
105637-50-1
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| Related CAS # |
ML-9 Free Base;110448-31-2
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| PubChem CID |
108047
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| Appearance |
Off-white to light yellow solid powder
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| Boiling Point |
508.8ºC at 760mmHg
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| Melting Point |
196-200ºC
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| Flash Point |
261.5ºC
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| Vapour Pressure |
1.79E-10mmHg at 25°C
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| LogP |
4.626
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
22
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| Complexity |
451
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC2=C(C=CC=C2S(=O)(=O)N3CCCNCC3)C(=C1)Cl.Cl
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| InChi Key |
ZNRYCIVTNLZOGI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H17ClN2O2S.ClH/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18/h1-2,4-7,17H,3,8-11H21H
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| Chemical Name |
1-(5-chloronaphthalen-1-yl)sulfonyl-1,4-diazepane;hydrochloride
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| Synonyms |
ML9 HCl; ML-9 HCl; ML 9 HCl; ML-9 hydrochloride
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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) |
DMSO : ~83.33 mg/mL (~230.65 mM)
H2O : ≥ 5 mg/mL (~13.84 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.76 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 20.8 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: ≥ 2.08 mg/mL (5.76 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 20.8 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (5.76 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.7679 mL | 13.8393 mL | 27.6786 mL | |
| 5 mM | 0.5536 mL | 2.7679 mL | 5.5357 mL | |
| 10 mM | 0.2768 mL | 1.3839 mL | 2.7679 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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