| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg | |||
| Other Sizes |
| Targets |
The primary target of MT1 is the BET (bromodomain and extra-terminal) family of proteins, specifically BRD4. BET proteins are epigenetic readers that recognize acetylated lysine residues on histones and regulate gene transcription. MT1 binds to the bromodomains of BET proteins with an IC₅₀ of 0.789 nM for BRD4. The bivalent nature of MT1 allows it to simultaneously engage two bromodomains, resulting in enhanced binding affinity and selectivity. By inhibiting BET bromodomains, MT1 disrupts the interaction between BET proteins and acetylated histones, leading to altered gene expression programs.
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| ln Vitro |
Through caspase-3 and PARP, MT1 (100 nM, 24 hours) dramatically causes apoptosis in MV4;11 cells [1].
In vitro, MT1 demonstrates potent BET bromodomain inhibition with an IC₅₀ of 0.789 nM for BRD4. The bivalent design of MT1 enhances its binding affinity and selectivity compared to monovalent BET inhibitors. In cell-based assays, MT1 has been shown to effectively inhibit BET-dependent gene transcription and reduce the proliferation of cancer cell lines that depend on BET proteins for survival. The compound can be used to study the role of BET proteins in various cellular processes including oncogenesis, inflammation, and differentiation. Detailed in vitro activity data are available from published studies. |
| ln Vivo |
Compared with JQ1, MT1 (44.2 and 22.1 µmol/kg, daily intraperitoneal injection for 14 days) significantly slowed leukemia progression in mice (Mus musculus) [1]. The terminal t1/2 of MT1 in mice is 2.70 hours [1].
In vivo, MT1 has been evaluated as a chemical probe to study BET biology in animal models. The compound can be used to investigate the effects of BET inhibition on tumor growth, immune response, and other physiological processes. As a bivalent inhibitor, MT1 may demonstrate improved in vivo efficacy and selectivity compared to monovalent BET inhibitors. The compound is soluble in DMSO and should be stored at -20°C. Detailed in vivo efficacy data are available from the primary literature. Further studies are needed to fully characterize its in vivo pharmacokinetic and pharmacodynamic properties. |
| Enzyme Assay |
In vitro enzyme/receptor binding studies for MT1 typically involve bromodomain binding assays. The compound's binding affinity for BRD4 and other BET bromodomains can be determined using AlphaScreen, TR-FRET, or surface plasmon resonance (SPR) assays. IC₅₀ values are calculated from competition binding curves using appropriate fluorescent or radiolabeled probes. Selectivity profiling against other bromodomain-containing proteins and non-BET targets can be performed using panel screening approaches. These methods are for research purposes only. Standard assay conditions include appropriate buffer systems, incubation times, and temperature control.
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| Cell Assay |
Western Blot Analysis[1]
Cell Types: MV4; 11 cells[1]. Tested Concentrations: 100 nM. Incubation Duration: 24 hrs (hours). Experimental Results: After treatment, significant apoptosis was observed via caspase-3 and PARP cleavage. In vitro cell-based assays for MT1 evaluate its effects on BET-dependent cellular functions. Cancer cell lines (e.g., those with MYC amplification or BET dependency) are treated with MT1 at various concentrations (typically 0.1 nM to 10 µM) for 24-72 hours. Cell viability is assessed using MTT, CCK-8, or CellTiter-Glo assays. Gene expression changes can be measured by qRT-PCR or RNA-seq to evaluate the effects of BET inhibition on downstream target genes. Apoptosis assays (e.g., Annexin V staining, caspase activation) can be performed to assess the mechanism of cell death. Standard cell culture conditions (37°C, 5% CO₂) are used with appropriate media and serum supplementation. |
| Animal Protocol |
Animal/Disease Models: Leukemia xenograft model [1].
Doses: 44.2 and 22.1 µmol/kg. Route of Administration: intraperitoneal (ip) injection for 14 days. Experimental Results: Leukemia burden was Dramatically diminished over the course of the study compared to vehicle or JQ1. In vivo animal studies for MT1 typically involve xenograft mouse models bearing human tumor cell lines that are sensitive to BET inhibition. Tumor-bearing mice are treated with MT1 via intraperitoneal or oral administration at various doses and schedules. Tumor volumes are measured regularly using calipers, and body weight is monitored for toxicity assessment. Pharmacodynamic studies evaluate target engagement and biomarker modulation in tumor tissues. The compound is formulated in appropriate vehicles (e.g., DMSO/PEG300/saline) for in vivo administration. All procedures must comply with institutional animal care guidelines. |
| ADME/Pharmacokinetics |
The pharmacokinetic properties of MT1 are consistent with those of small molecule BET inhibitors. The compound is soluble in DMSO and should be stored at -20°C. The PEG7 linker in the bivalent structure may contribute to improved aqueous solubility and reduced aggregation compared to more hydrophobic compounds. The compound's large molecular weight (1134.20 g/mol) may limit oral bioavailability, and intraperitoneal or intravenous administration may be preferred for in vivo studies. Detailed pharmacokinetic parameters (half-life, clearance, volume of distribution) are available from published studies.
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| Toxicity/Toxicokinetics |
The toxicity profile of MT1 is not fully characterized in publicly available literature. The compound is classified for research use only and not for human consumption. As a BET inhibitor, potential toxicities may include gastrointestinal effects, hematological changes, and other on-target toxicities associated with BET inhibition. Standard safety precautions for handling chemical probes apply, including the use of personal protective equipment and working in a chemical fume hood. Preclinical toxicology studies would be required for clinical development. The compound should be handled with care due to its potent biological activity.
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| References | |
| Additional Infomation |
Additional information: MT1 is also known as 6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, N,N'-3,6,9,12,15,18,21-heptaoxatricosane-1,23-diylbis[4-(4-chlorophenyl)-2,3,9-trimethyl-, (6S,6'S)-. The compound has a density of 1.4±0.1 g/cm³ and is soluble in DMSO. Storage: store at -20°C. MT1 is a bivalent chemical probe of BET bromodomains with an IC₅₀ of 0.789 nM for BRD4. The compound is part of a class of chemical probes used to study BET protein function in epigenetic regulation and cancer biology. This product is for research use only and is not approved for clinical or therapeutic applications.
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| Molecular Formula |
C54H66CL2N10O9S2
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|---|---|
| Molecular Weight |
1134.19944810867
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| Exact Mass |
1132.383
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| CAS # |
2060573-82-0
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| PubChem CID |
122172644
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
5.3
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
17
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| Rotatable Bond Count |
30
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| Heavy Atom Count |
77
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| Complexity |
1750
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| Defined Atom Stereocenter Count |
2
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| SMILES |
ClC1C=CC(=CC=1)C1C2C(C)=C(C)SC=2N2C(C)=NN=C2[C@H](CC(NCCOCCOCCOCCOCCOCCOCCOCCNC(C[C@H]2C3=NN=C(C)N3C3=C(C(C)=C(C)S3)C(C3C=CC(=CC=3)Cl)=N2)=O)=O)N=1
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| InChi Key |
JNSLBXJNVHYNNW-CXNSMIOJSA-N
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| InChi Code |
InChI=1S/C54H66Cl2N10O9S2/c1-33-35(3)76-53-47(33)49(39-7-11-41(55)12-8-39)59-43(51-63-61-37(5)65(51)53)31-45(67)57-15-17-69-19-21-71-23-25-73-27-29-75-30-28-74-26-24-72-22-20-70-18-16-58-46(68)32-44-52-64-62-38(6)66(52)54-48(34(2)36(4)77-54)50(60-44)40-9-13-42(56)14-10-40/h7-14,43-44H,15-32H2,1-6H3,(H,57,67)(H,58,68)/t43-,44-/m0/s1
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| Chemical Name |
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]-N-[2-[2-[2-[2-[2-[2-[2-[2-[[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]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
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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 : ~150 mg/mL (~132.25 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 7.5 mg/mL (6.61 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 75.0 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: 7.5 mg/mL (6.61 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 75.0 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: ≥ 7.5 mg/mL (6.61 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 | 0.8817 mL | 4.4084 mL | 8.8168 mL | |
| 5 mM | 0.1763 mL | 0.8817 mL | 1.7634 mL | |
| 10 mM | 0.0882 mL | 0.4408 mL | 0.8817 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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