| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 250mg |
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| Targets |
MS417 specifically targets the bromodomain and extra-terminal (BET) protein BRD4. BRD4 is a chromatin reader that binds to acetylated histones and regulates gene transcription. By inhibiting BRD4, MS417 can modulate the expression of genes involved in inflammation and cancer, such as those regulated by NF-κB. It binds to the first and second bromodomains (BD1 and BD2) of BRD4.
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| ln Vitro |
BET potential BRD4, MS417 binds to BRD4-BD1 and BRD4-BD2 with IC50 values of 30 and 46 nM, respectively, and Kd values of 36.1 and 25.4 nM. Its selectivity towards CBP BrD is weaker (IC50 = 32.7 μM). In human embryonic kidney 293T cells, TNFα-induced NF-κB activation is nearly entirely inhibited by MS417 at 1 μM. Additionally, MS417 p65 networked MS417 (1 μM) in HIV-infected RTEC is reduced. These results indicate that MS417 affects gene regulation in HIV-infected human renal tubular epithelial cells. Furthermore, MS417 suppresses NF-κB, which has an impact on chemokines and cytokines [1].
In vitro, MS417 is a potent inhibitor of BRD4. It shows IC50 values of 30 nM for BRD4-BD1 and 46 nM for BRD4-BD2. Its activity is characterized by its ability to displace BRD4 from chromatin, thereby inhibiting the transcription of its target genes. It has been shown to downregulate NF-κB transcriptional activity in HIV-associated nephropathy. |
| ln Vivo |
In Tg26 mice, renal tubular injury, proteinuria, glomerular lymphoma, and inflammatory cell respiration are all markedly reduced when MS417 (0.08 mg/kg) is administered [1].
In vivo, MS417 is used in research to study the effects of BRD4 inhibition. It has been studied in models of inflammatory diseases and cancers. By inhibiting BRD4, it can modulate inflammatory pathways and potentially reduce tumor growth. |
| Enzyme Assay |
In vitro enzyme/receptor binding studies for MS417 are performed using binding assays. In these assays, the BRD4 protein (BD1 or BD2) is incubated with a labeled ligand and varying concentrations of MS417. The displacement of the ligand is measured to determine the IC50 and Kd values.
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| Cell Assay |
In vitro cellular assays for MS417 are used to study its effects on cells. Cells are treated with the compound, and key readouts include the inhibition of BRD4-mediated transcription, measured by qRT-PCR, and the effects on cell proliferation and viability. Its ability to modulate the NF-κB pathway is also assessed.
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| Animal Protocol |
In vivo animal studies for MS417 are conducted in models of disease. It has been studied in HIV-associated nephropathy and other inflammatory diseases. These studies involve administering the compound and measuring disease progression and inflammatory markers.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of MS417 include its molecular weight of 414.90 g/mol and a formula of C20H19ClN4O2S. Its CAS number is 916489-36-6.
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| Toxicity/Toxicokinetics |
MS417 is a research compound and is not approved for human therapeutic use. As a BRD4 inhibitor, its safety profile has been evaluated in preclinical studies. Specific toxicity data are not detailed in the provided sources.
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| References | |
| Additional Infomation |
MS-417 belongs to the thienotriazole diazaphene class of compounds and is a methyl ester of [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazaphen-6-yl]acetic acid. It is a bromine- and terminal-domain (BET) specific inhibitor and belongs to the thienotriazole class of compounds. MS-417 is a thienotriazole diazaphene, belonging to the monochlorobenzene class, and is a methyl ester. It is an enantiomer of MS-566.
MS417 is a research-use-only compound that acts as a selective BRD4 inhibitor. Its CAS number is 916489-36-6. It is a valuable tool for studying the role of BRD4 in gene transcription and disease. It is not an approved drug. |
| Molecular Formula |
C20H19CLN4O2S
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|---|---|
| Molecular Weight |
414.908
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| Exact Mass |
414.091
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| CAS # |
916489-36-6
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| PubChem CID |
59190723
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
596.8±60.0 °C at 760 mmHg
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| Flash Point |
314.7±32.9 °C
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| Vapour Pressure |
0.0±1.7 mmHg at 25°C
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| Index of Refraction |
1.698
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| LogP |
3.26
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
28
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| Complexity |
627
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC)C4=CC=C(C=C4)Cl)C
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| InChi Key |
GGRCIHACOIMRKY-HNNXBMFYSA-N
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| InChi Code |
InChI=1S/C20H19ClN4O2S/c1-10-11(2)28-20-17(10)18(13-5-7-14(21)8-6-13)22-15(9-16(26)27-4)19-24-23-12(3)25(19)20/h5-8,15H,9H2,1-4H3/t15-/m0/s1
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| Chemical Name |
methyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate
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| Synonyms |
MS 417; MS-417; MS417
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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 (e.g. under nitrogen), 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) |
Ethanol : ~50 mg/mL (~120.51 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.03 mM) (saturation unknown) in 10% EtOH + 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 25.0 mg/mL clear EtOH 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: ≥ 2.5 mg/mL (6.03 mM) (saturation unknown) in 10% EtOH + 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 25.0 mg/mL clear EtOH 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: ≥ 2.5 mg/mL (6.03 mM) (saturation unknown) in 10% EtOH + 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 | 2.4102 mL | 12.0508 mL | 24.1016 mL | |
| 5 mM | 0.4820 mL | 2.4102 mL | 4.8203 mL | |
| 10 mM | 0.2410 mL | 1.2051 mL | 2.4102 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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