| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 25mg | |||
| Other Sizes |
Purity: ≥98%
| Targets |
BRD2 bromodomain (BD1 and BD2), BRD3 bromodomain (BD1 and BD2), BRD4 bromodomain (BD1 and BD2).
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|---|---|
| ln Vitro |
HJB97 is a highly potent bomer domain and extra terminus (BET) inhibitor, with IC50 values of 3.9 nM (BRD2 BD2), 6.6 nM (BRD3 BD1), 1.9 nM (BRD3 BD2), 7.0 nM (BRD4) BD1), and 7.0 nM (BRD4 BD2)[1]. HJB97 (10-1000 nM, 4 days) efficiently suppresses the development of acute leukemia cell lines MOLM-13 and RS4;11, with corresponding IC50 values of 25.6 nM and 24.1 nM [1]. At a dose of 300–1000 nM, HJB97 can successfully downregulate the levels of c-Myc in the RS4;11 cell line after a 24-hour treatment [1].
HJB-97 shows Ki values of 0.9 nM (BRD2 BD1), 0.27 nM (BRD2 BD2), 0.18 nM (BRD3 BD1), 0.21 nM (BRD3 BD2), and IC50 values of 3.1 nM (BRD2 BD1), 3.9 nM (BRD2 BD2), 6.6 nM (BRD3 BD1), 1.9 nM (BRD3 BD2), 7.0 nM (BRD4 BD1), 7.0 nM (BRD4 BD2). These data demonstrate picomolar to low nanomolar potency across all BET bromodomains tested. |
| ln Vivo |
In vivo, HJB-97 has antitumor activity in preclinical models. It has been employed for the design of PROTAC-based BET degraders, which show enhanced antitumor efficacy. Specific dosing regimens and detailed in vivo efficacy data are available in the literature but not detailed in public search results.
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| Enzyme Assay |
BET bromodomain binding is assessed using in vitro binding assays such as AlphaScreen, TR-FRET, or fluorescence polarization with recombinant bromodomain proteins and a fluorescent tracer. Ki values are calculated from competition binding curves. Selectivity is evaluated by profiling against a panel of bromodomains.
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| Cell Assay |
Cell viability assay [1]
Cell Types: human acute leukemia RS4;11 cell line; human acute leukemia MOLM-13 cell line Tested Concentrations: 10-1000 nM Incubation Duration: 4 days Experimental Results: Inhibition of RS4;11 cell and MOLM-13 cell growth The IC50 values are 24.1±5.3 nM and 25.6±1.9 nM respectively. Western Blot Analysis[1] Cell Types: RS4; 11 cells Tested Concentrations: 30, 100, 300, 1000 nM Incubation Duration: 24 hrs (hours) Experimental Results: c-Myc levels are downregulated in RS4, but at concentrations of 300-1000 nM; 11 cell line . Cellular activity is evaluated in cancer cell lines. Cells are treated with HJB-97 at various concentrations and cell proliferation is measured. BRD target engagement is assessed by cellular thermal shift assays or NanoBRET. MYC and other BET target gene expression is measured by qRT-PCR. Antitumor activity is confirmed in soft agar colony formation assays. |
| Animal Protocol |
In vivo efficacy is studied in mouse xenograft models of cancer. HJB-97 is administered orally or via intraperitoneal injection at doses ranging from 10-1000 nM. Tumor growth is measured over time. Pharmacodynamic markers including BRD target engagement and MYC expression are assessed in tumor tissue. PROTAC-based BET degraders derived from HJB-97 show enhanced efficacy.
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| ADME/Pharmacokinetics |
HJB-97 has a molecular formula of C28H30N8O3? (exact formula varies by source) and molecular weight of approximately 500.55. The compound is typically provided as a powder. Detailed pharmacokinetic parameters including half-life, oral bioavailability, and plasma protein binding are not extensively characterized in publicly available literature.
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| Toxicity/Toxicokinetics |
Safety data for HJB-97 indicate it is a research compound for laboratory use only. Specific toxicological profiles including acute toxicity, organ toxicity, and genotoxicity are not extensively published. As a BET inhibitor, it may have effects on cell proliferation and gene expression. Standard laboratory safety practices should be followed during handling.
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| References | |
| Additional Infomation |
HJB-97 is a research tool compound for studying BET bromodomain biology and developing BET-targeted therapies. It is not approved for clinical use. The compound has been used as a starting point for the design of PROTAC-based BET degraders, which represent a novel therapeutic approach for cancer and other diseases driven by BET-dependent gene expression.
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| Molecular Formula |
C26H28N8O3
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|---|---|
| Molecular Weight |
500.552324295044
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| Exact Mass |
500.228
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| CAS # |
2093391-24-1
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| PubChem CID |
135397673
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
3.9
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
37
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| Complexity |
832
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C)C1C(C2C(C)=NOC=2C)=CC2=C(C=1)C1C(=NC(C(NC)=O)=NC=1NC1=CC(C3CC3)=NN1CC)N2
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| InChi Key |
JNYHQYRTYFSMSQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C26H28N8O3/c1-6-34-20(11-17(32-34)14-7-8-14)29-24-22-15-10-19(36-5)16(21-12(2)33-37-13(21)3)9-18(15)28-23(22)30-25(31-24)26(35)27-4/h9-11,14H,6-8H2,1-5H3,(H,27,35)(H2,28,29,30,31)
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| Chemical Name |
4-((3-Cyclopropyl-1-ethyl-1H-pyrazol-5-yl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-N-methyl-9H-pyrimido[4,5-b]indole-2-carboxamide
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| Synonyms |
HJB-97 HJB 97 HJB97
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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 : ~30 mg/mL (~59.93 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.99 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 (4.99 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9978 mL | 9.9890 mL | 19.9780 mL | |
| 5 mM | 0.3996 mL | 1.9978 mL | 3.9956 mL | |
| 10 mM | 0.1998 mL | 0.9989 mL | 1.9978 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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