| Field | Specification |
|---|---|
| Target | |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C18H24N6O |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
Bohemine is a purine analogue and a synthetic, selective CDK inhibitor with IC50 values of 4.6 μM, 83 μM, and 2.7 μM against Cdk2/cyclin E, Cdk2/cyclin A, and Cdk9/cyclin T1, respectively. It also inhibits ERK2 with an IC50 of 52 μM and has a weaker inhibitory effect on CDK1, CDK4, and CDK6, and it shows broad-spectrum anti-cancer activity[1][2]. It is supplied as a white to off-white solid (C18H24N6O, MW 340.42) at 98.93% purity.
Physical & Chemical Properties
| CAS Number | 189232-42-6 |
|---|---|
| Molecular Formula | C18H24N6O |
| Molecular Weight | 340.42 g/mol |
| Purity | 98.93% |
| Appearance | Solid |
| Color | White to off-white |
| SMILES | OCCCNC1=NC(NCC2=CC=CC=C2)=C3N=CN(C(C)C)C3=N1 |
| Target | CDK2/cyclinE, cdk2/cyclin A, CDK9/cyclinT1, ERK2 |
| Signaling Pathway | Cell Cycle/DNA Damage; Stem Cell/Wnt; MAPK/ERK Pathway |
| Solubility | In Vitro: DMSO: 100 mg/mL (293.75 mM; Requires sonication; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | Powder: -20°C, 3 years. In solvent: -80°C, 6 months; -20°C, 1 month. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Biological Activity
IC50 & Target[2]
|
CDK2/cyclinE 4.6 μM (IC50) |
cdk2/cyclin A 83 μM (IC50) |
CDK9/cyclinT1 2.7 μM (IC50) |
ERK2 52 μM (IC50) |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMSO | 100 mg/mL (293.75 mM) | requires sonication; use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 6 months) or -20°C (up to 1 month); avoid repeated freeze-thaw cycles.
In Vivo
Choose the formulation that suits the animal model and route of administration; percentages are volume ratios of the final working solution. Start from a clear DMSO stock (see In Vitro above), add the co-solvents one at a time in the order listed, mixing after each addition, and prepare the working solution fresh on the day of dosing. If precipitation or phase separation occurs, gentle warming or sonication can help.
Protocol 1
| Composition | 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline |
|---|---|
| Result | ≥ 2.5 mg/mL (7.34 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 400 μL PEG300; then 50 μL Tween-80; then 450 μL saline to bring the volume to 1 mL. Saline: dissolve 0.9 g sodium chloride in ddH2O and make up to 100 mL. |
Protocol 2
| Composition | 10% DMSO + 90% (20% SBE-β-CD in saline) |
|---|---|
| Result | ≥ 2.5 mg/mL (7.34 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL 20% SBE-β-CD in saline. 20% SBE-β-CD in saline: dissolve 2 g SBE-β-CD powder in 10 mL saline until clear (4°C, store up to one week). |
Protocol 3
| Composition | 10% DMSO + 90% Corn Oil |
|---|---|
| Result | ≥ 2.5 mg/mL (7.34 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). Use with caution if continuous dosing will exceed two weeks. For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL corn oil. |
Data provided by the manufacturer.
In Vitro
Treatment with Bohemine (0-30 μM; 72 hours; ME-750 cells) inhibits cell growth. At concentrations of 1-10 μM, Bohemine causes a short-term arrest of growth and of monoclonal antibody production. This short-term suppression of cell functions is followed by a significant, temporary rise in specific growth rate and specific production rate[1]. Depending on the Bohemine concentration (0-30 μM), hybridoma cells are retarded at the G1/S boundary and at the G2/M boundary[1]. After treatment of the T-lymphoblastic cell line CEM with Bohemine, five proteins are downregulated: α-enolase, triosephosphate isomerase, initiation factor 5A, and the α- and β-subunits of Rho GDP-dissociation inhibitor 1. These proteins have significant roles in glycolysis, proteosynthesis, and cytoskeleton rearrangement[1]. Bohemine inhibits the growth of human tumor cell lines, with an IC50 of 27 μM[2].
Cell Viability Assay[1]
| Cell Line | Mouse hybridoma ME-750 cells |
|---|---|
| Concentration | 0 μM, 1 μM, 3 μM, 10 μM and 30 μM |
| Incubation Time | 72 hours |
| Result | At 10 μM and 30 μM concentrations, the viable cell count was significantly lower with respect to control, i.e., 77% and 48%, respectively. |
In Vivo
In BALB/c mice given Bohemine (50 mg/kg; intravenous injection), Cmax is 72,308 nM, observed clearance is 0.23 L/h, and T1/2 is 1.39 h[2].
| Animal Model | BALB/c mice bearing the colon 26 murine tumor[2] |
|---|---|
| Dosage | 50 mg/kg |
| Administration | Intravenous injection (Pharmacokinetic Analysis) |
| Result | Cmax is 72,308 nM, observed clearance is 0.23 L/h and T1/2 is 1.39 h. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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CDK inhibitor Palbociclib targets STING to alleviate autoinflammation. EMBO Rep 2022 Jun 7;23(6):e53932. PMID: 35403787
