| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
The primary target is LSD1 (lysine-specific demethylase 1, KDM1A), which removes methyl groups from H3K4me1/2. LSD1 is overexpressed in various cancers, including acute myeloid leukemia, breast cancer, and neuroblastoma, and is associated with poor prognosis. Inhibition of LSD1 by CBB1003 leads to accumulation of H3K4 methylation, reactivation of silenced tumor suppressor genes, and inhibition of cancer cell proliferation.
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|---|---|
| ln Vitro |
In vitro, CBB1003 inhibits LSD1 demethylase activity with an IC50 of 10.54 µM. It induces accumulation of H3K4me1/2 in treated cells and promotes differentiation of leukemia and neuroblastoma cell lines. CBB1003 also inhibits proliferation of various cancer cell lines, including those derived from leukemia, breast, and prostate cancers, with IC50 values in the micromolar range. It induces cell cycle arrest and apoptosis in sensitive cell lines.
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| ln Vivo |
In vivo, CBB1003 has demonstrated antitumor activity in preclinical leukemia and solid tumor models. Administration of CBB1003 to tumor-bearing mice results in inhibition of tumor growth, induction of differentiation markers, and increased H3K4 methylation in tumor tissues. The compound is used as a tool to validate LSD1 as a therapeutic target and to study the epigenetic mechanisms underlying cancer development and progression.
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| Enzyme Assay |
For non-cellular enzyme assays, recombinant LSD1 protein is incubated with a dimethylated H3K4 peptide substrate in assay buffer containing FAD and horseradish peroxidase. Serial dilutions of CBB1003 are added, and the reaction is initiated by adding the substrate. Demethylase activity is measured by detecting H2O2 production using a fluorescence-based or colorimetric detection system (e.g., Amplex Red). IC50 values are calculated from dose-response curves.
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| Cell Assay |
For cell-based assays, leukemia or solid tumor cell lines are treated with CBB1003 at varying concentrations for 48-72 hours. Cell viability is assessed using MTT or CellTiter-Glo® assays. Histone methylation status (H3K4me1/2, H3K9me2) is analyzed by Western blot with specific antibodies. Cell cycle distribution is determined by flow cytometry after propidium iodide staining, and apoptosis is assessed by Annexin V/PI staining or caspase activity assays.
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| Animal Protocol |
For in vivo experiments, CBB1003 is formulated in a suitable vehicle (e.g., DMSO/PEG300/saline) and administered to tumor-bearing mice via intraperitoneal injection or oral gavage. Xenograft or syngeneic tumor models are used, and tumor growth is monitored regularly. At study termination, tumors are harvested for Western blot analysis of histone methylation marks and immunohistochemical assessment of differentiation markers. Pharmacokinetic properties are evaluated by LC-MS/MS analysis of plasma and tumor samples.
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| References |
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| Molecular Formula |
C25H31N9O4
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|---|---|
| Molecular Weight |
521.572
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| Exact Mass |
521.25
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| CAS # |
1379573-88-2
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| Related CAS # |
CBB1003 hydrochloride;2070015-02-8
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| PubChem CID |
57345268
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
2.363
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| tPSA |
192.66
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
38
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| Complexity |
901
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| Defined Atom Stereocenter Count |
0
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| SMILES |
NC(N1CCN(CC2=CC(C(N3CCN(C(C4=CC=C(C(N)=N)C=C4)=O)CC3)=O)=CC([N+]([O-])=O)=C2)CC1)=N
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| InChi Key |
SKTVJNLOILHEKO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C25H31N9O4/c26-22(27)18-1-3-19(4-2-18)23(35)31-9-11-32(12-10-31)24(36)20-13-17(14-21(15-20)34(37)38)16-30-5-7-33(8-6-30)25(28)29/h1-4,13-15H,5-12,16H2,(H3,26,27)(H3,28,29)
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| Chemical Name |
4-[[3-[4-(4-carbamimidoylbenzoyl)piperazine-1-carbonyl]-5-nitrophenyl]methyl]piperazine-1-carboximidamide
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 1.9173 mL | 9.5864 mL | 19.1729 mL | |
| 5 mM | 0.3835 mL | 1.9173 mL | 3.8346 mL | |
| 10 mM | 0.1917 mL | 0.9586 mL | 1.9173 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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