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| Targets |
BET (bromodomain and extra-terminal) family. JQ-35, (S)- is a BET bromodomain inhibitor. The compound targets epigenetic regulation and has potential anti-tumor activity, particularly in breast cancer research.
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| ln Vitro |
JQ-35, (S)- is a BET bromodomain inhibitor with anti-tumor activity. The compound shows potent inhibition of BET bromodomains. Detailed IC50 values against specific BET family members (BRD2, BRD3, BRD4) have been reported in the literature.
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| ln Vivo |
JQ-35, (S)- has potential anti-tumor activity, particularly in breast cancer research. The compound has been evaluated in preclinical models of cancer. Detailed in vivo efficacy data in xenograft models has been reported in the literature.
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| Enzyme Assay |
BET bromodomain binding assay: Recombinant BET bromodomains (BRD2, BRD3, BRD4) are incubated with varying concentrations of JQ-35, (S)- and a fluorescently labeled acetylated histone peptide in assay buffer. Binding is measured by fluorescence polarization or AlphaScreen. IC50 or Kd values are calculated.
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| Cell Assay |
Cell proliferation assay: Cancer cell lines (particularly breast cancer cell lines) are seeded in 96-well plates and treated with JQ-35, (S)- at varying concentrations for 48–72 hours. Cell viability is measured using CellTiter-Glo or MTT assay. IC50 values for inhibition of proliferation are calculated.
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| Animal Protocol |
Xenograft tumor model: Immunocompromised mice bearing subcutaneous human tumor xenografts are treated with JQ-35, (S)- via oral or intraperitoneal routes. Tumor volume is measured regularly. Endpoints include tumor growth inhibition, regression, and survival analysis. Biomarker modulation (e.g., MYC expression) is assessed.
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| ADME/Pharmacokinetics |
JQ-35, (S)- has a molecular weight of 540.12 g/mol and molecular formula C27H34ClN7OS. CAS number is 1349719-98-7. The compound is a BET bromodomain inhibitor. Comprehensive PK parameters have been characterized.
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| Toxicity/Toxicokinetics |
No detailed toxicity data has been published. JQ-35, (S)- is for research use only. Standard laboratory safety practices should be followed when handling this compound. As a BET inhibitor, potential effects on transcription and epigenetic regulation should be considered.
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| References | |
| Additional Infomation |
RO-6870810 is being investigated in the clinical trial NCT02308761 (the RO6870810/TEN-010 study in patients with acute myeloid leukemia and myelodysplastic syndrome).
The BET inhibitor RO6870810 is a small molecule inhibitor that inhibits bromodomain proteins of the BET (bromodomain and terminal domain) family, possessing potential antitumor activity. After administration, the BET inhibitor RO6870810 binds to the acetylated lysine recognition motif in the bromodomain of the BET protein, thereby preventing the interaction between the BET protein and acetylated histones. This interaction disrupts chromatin remodeling and gene expression. Inhibition of the expression of certain growth-promoting genes may lead to suppression of tumor cell growth. The BET protein consists of BRD2, BRD3, BRD4, and BRDT, characterized by tandem repeats of bromodomains at the N-terminus; these are transcriptional regulators that play important roles in cell development and growth. JQ-35, (S)- (TEN-010) is a BET bromodomain inhibitor with anti-tumor activity, particularly in breast cancer research. It targets epigenetic regulation and has potential anti-tumor applications. The compound is a research tool for studying BET bromodomain function in cancer. No clinical trials or approved上市 status have been reported. |
| Molecular Formula |
C27H34CLN7OS
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|---|---|
| Molecular Weight |
540.12
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| Exact Mass |
539.223
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| CAS # |
1349719-98-7
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| PubChem CID |
54670351
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| Appearance |
Light yellow to pink solid powder
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| Density |
1.4±0.1 g/cm3
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| Index of Refraction |
1.694
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| LogP |
1.73
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
37
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| Complexity |
817
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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)NCCCN4CCN(CC4)C)C5=CC=C(C=C5)Cl)C
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| InChi Key |
PKQXLRYFPSZKDU-QFIPXVFZSA-N
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| InChi Code |
InChI=1S/C27H34ClN7OS/c1-17-18(2)37-27-24(17)25(20-6-8-21(28)9-7-20)30-22(26-32-31-19(3)35(26)27)16-23(36)29-10-5-11-34-14-12-33(4)13-15-34/h6-9,22H,5,10-16H2,1-4H3,(H,29,36)/t22-/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-[3-(4-methylpiperazin-1-yl)propyl]acetamide
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| Synonyms |
(S)-JQ35; Bet inhibitor TEN-010; JQ-35, (S)-
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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 : ≥ 85 mg/mL (~157.37 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.63 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 25.0 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: ≥ 2.5 mg/mL (4.63 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 25.0 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: ≥ 2.5 mg/mL (4.63 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 | 1.8514 mL | 9.2572 mL | 18.5144 mL | |
| 5 mM | 0.3703 mL | 1.8514 mL | 3.7029 mL | |
| 10 mM | 0.1851 mL | 0.9257 mL | 1.8514 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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