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| Targets |
Myosin V-IN-1 specifically targets myosin V, a member of the myosin superfamily of actin-based motor proteins. Myosin V is involved in intracellular vesicle transport, organelle movement, and mRNA localization. The compound binds to the myosin V motor domain and inhibits its ATPase activity by blocking the release of ADP from the actomyosin complex. This inhibition prevents the conformational changes required for the power stroke and processive movement of myosin V along actin filaments. The compound shows high selectivity for myosin V over other myosin isoforms. The Ki value of 6 μM indicates potent inhibition of the myosin V ATPase activity. The molecular target is the myosin V heavy chain.
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| ln Vitro |
Compound 8, also known as myosin V-IN-1, displays a dose-dependent decrease in the steady-state actin-activated ATP hydrolysis rate of single-headed myosin V [1].
In vitro, Myosin V-IN-1 demonstrates dose-dependent inhibition of the steady-state actin-activated ATP hydrolysis rate of single-headed myosin V. The compound shows acute inhibition of myosin V activity, with significant reduction in ATPase activity observed at micromolar concentrations. Myosin V-IN-1 effectively slows down the actin-activated myosin V ATPase by specifically inhibiting ADP release from the actomyosin complex, a critical step in the myosin ATPase cycle. The compound has been used to study the role of myosin V in intracellular transport processes in various cell types. In vitro studies have shown that myosin V inhibition by this compound affects vesicle trafficking and organelle positioning in cultured cells. |
| ln Vivo |
In vivo studies of Myosin V-IN-1 are limited, as the compound is primarily used as a research tool in cell-based assays. However, the inhibition of myosin V in vivo is expected to affect processes dependent on myosin V-mediated transport, including melanosome transport in melanocytes, dendritic spine formation in neurons, and vesicle trafficking in various cell types. In animal models, myosin V dysfunction has been associated with neurological disorders and pigmentation defects. Myosin V-IN-1 may be used to study the consequences of myosin V inhibition in whole organisms, although detailed in vivo pharmacokinetic and efficacy studies are not extensively reported in the literature.
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| Enzyme Assay |
In vitro enzyme assays for myosin V inhibition by Myosin V-IN-1 are performed using purified myosin V protein and actin filaments. The assay measures the ATPase activity of myosin V in the presence of actin, which stimulates the enzymatic activity. Reactions are carried out in a buffer containing ATP, Mg²⁺, and actin filaments, with varying concentrations of the compound. The release of inorganic phosphate (Pi) is measured using a colorimetric or fluorometric method (e.g., malachite green assay). The Ki value is determined by analyzing the inhibition kinetics. The assay includes positive controls (known myosin inhibitors) and negative controls (vehicle only). All reactions are performed in triplicate with appropriate blanks.
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| Cell Assay |
In vitro cell-based assays for Myosin V-IN-1 typically use cultured cells to assess the effects of myosin V inhibition on intracellular transport and cellular functions. Cells such as melanocytes (for melanosome transport studies), neurons (for dendritic spine and vesicle trafficking studies), or other cell types expressing myosin V are treated with the compound at concentrations ranging from 1 to 50 μM. The effects on organelle movement, vesicle trafficking, and cell morphology are assessed by live-cell imaging using fluorescence microscopy. The impact on myosin V-mediated processes is quantified by measuring the velocity and displacement of labeled organelles or vesicles. Cell viability is monitored using standard cytotoxicity assays. The compound is typically dissolved in DMSO and added to the culture medium.
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| Animal Protocol |
In vivo animal studies with myosin V inhibitors such as Myosin V-IN-1 are not extensively reported in the literature, as the compound is primarily used as a research tool for in vitro and cell-based experiments. However, for studies requiring in vivo administration, the compound would be formulated in suitable vehicles (e.g., DMSO/PEG300/saline) and administered via intraperitoneal or oral routes in rodent models. Doses would need to be optimized based on pharmacokinetic and tolerability studies. Endpoints would include assessment of myosin V-dependent physiological processes such as pigmentation, neurological function, and intracellular transport. The lack of extensive in vivo data highlights the compound's primary utility as a research tool for mechanistic studies.
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| ADME/Pharmacokinetics |
Detailed pharmacokinetic properties of Myosin V-IN-1 have not been extensively characterized in the literature. The compound has a calculated LogP of 5, indicating moderate lipophilicity, which may affect its absorption and distribution. Myosin V-IN-1 is soluble in DMSO at 100 mg/mL (185.66 mM) and has limited aqueous solubility. For in vivo studies, formulation strategies would be required to enhance bioavailability, such as using co-solvents or lipid-based delivery systems. The compound is stable in powder form at -20°C for up to 3 years and in solution at -80°C for up to 6 months. Pharmacokinetic parameters such as half-life, clearance, and volume of distribution would need to be determined experimentally for specific applications.
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| Toxicity/Toxicokinetics |
Toxicological data for Myosin V-IN-1 are limited, as the compound is a research chemical not intended for human use. Standard safety precautions should be followed when handling the compound, including the use of personal protective equipment. The compound should be stored at -20°C and protected from light. No specific toxicological studies have been reported in the literature. As with all research chemicals, potential hazards include skin and eye irritation, respiratory irritation, and possible toxicity upon ingestion. Safety data sheets recommend appropriate handling procedures. The compound is for research use only and not for human or veterinary applications.
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| References | |
| Additional Infomation |
Myosin V-IN-1 is a valuable research tool for studying the biological functions of myosin V, a motor protein involved in intracellular transport, cell signaling, and organelle positioning. The compound has been used in studies investigating the role of myosin V in cancer cell migration, neurological disorders, and pigmentation. Myosin V dysfunction has been implicated in various diseases, including Griscelli syndrome, a rare genetic disorder characterized by partial albinism and neurological abnormalities. By providing a selective chemical inhibitor of myosin V, Myosin V-IN-1 enables researchers to dissect the specific contributions of this motor protein to cellular processes and disease pathogenesis. The compound is available from chemical suppliers for research purposes only.
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| Molecular Formula |
C29H26N6O3S
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| Molecular Weight |
538.620144367218
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| Exact Mass |
538.178
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| CAS # |
1259177-59-7
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| PubChem CID |
49871791
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| Appearance |
Light brown to yellow solid powder
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| LogP |
5
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
39
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| Complexity |
795
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(O)(=O)C1=CC=CC(SCC2=CC=CC(NC3=NC=C4C(C5=CC=C(N6CCOCC6)C=C5)=NNC4=N3)=C2)=C1
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| InChi Key |
JTMFLTNSCRPRHU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C29H26N6O3S/c36-28(37)21-4-2-6-24(16-21)39-18-19-3-1-5-22(15-19)31-29-30-17-25-26(33-34-27(25)32-29)20-7-9-23(10-8-20)35-11-13-38-14-12-35/h1-10,15-17H,11-14,18H2,(H,36,37)(H2,30,31,32,33,34)
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| Chemical Name |
3-[[3-[[3-(4-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]methylsulfanyl]benzoic acid
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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 (185.66 mM)
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| 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 | 1.8566 mL | 9.2830 mL | 18.5660 mL | |
| 5 mM | 0.3713 mL | 1.8566 mL | 3.7132 mL | |
| 10 mM | 0.1857 mL | 0.9283 mL | 1.8566 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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