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| 25mg |
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| 50mg |
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| 100mg |
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BS-181 HCl is a novel, highly selective, and small molecule CDK7 inhibitor with IC50 of 21 NM in a cell-free assay. Compared to CDK1, 2, 4, 5, 6, or 9, it is more than 40 times more selective for CDK7. Among the CDKs and other 69 kinases from various classes, BS-181 exhibits strong CDK7 inhibitory selectivity, inhibits CDK2 at concentrations below 1 μM, which is 35 times less potent (IC50 with 880 nM) than CDK7, and only exhibits slight inhibition for CDK1, CDK4, CDK5, CDK6, and CDK9 with IC50 values greater than 3.0 μM. Several kinases from other classes are only inhibited at high concentrations (>10 μM).
| Targets |
CDK7/CycH/MAT1 (IC50 = 0.021 μM); CDK2/Cyc E (IC50 = 0.88 μM); CDK1/cycB (IC50 = 8.1 μM); CDK4/Cyc D1 (IC50 = 33 μM); CDK5/p35NCK (IC50 = 3 μM); CDK6/cycD1 (IC50 = 47 μM); CDK9/cycT (IC50 = 4.2 μM)
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| ln Vitro |
BS-181 (0–40 μM; 72 hours) inhibits the growth of cancer cells. Its IC50 values range from 15.1 μM to 20 μM for breast cancer cell lines, from 11.5 μM to 15.3 μM for colorectal cancer cell lines, and from 11.5 μM to 37.3 μM for lung, osteosarcoma, prostate, and liver cancer cell lines, respectively; all of these ranges are against the growth of cancer cell lines[1].
BS-181 (0-50 μM; 4 hours) demonstrates the inhibition of phosphorylation at serine 5 (P-Ser5) of the RNA polymerase II C-terminal domain (CTD). While it has no effect on other CDKs or cyclins, it down-regulates the expression of CDK4 and cyclin D1[1]. BS-181 (0-50 μM; 24 hours) exhibits a decrease in the number of cells in S and G2/M and an increase in G1 cells at low concentrations. Higher concentrations, however, cause cells to gather in the sub-G1 phase, which is a sign of apoptosis[1]. |
| ln Vivo |
BS-181 (intraperitoneal injection; 5 mg/kg or 10 mg/kg twice daily; total daily doses of 10 mg/kg or 20 mg/kg; 14 days) suppresses the growth of tumors in a dose-dependent manner. For doses of 10 mg/kg/day and 20 mg/kg/day, respectively, tumor growth shows reductions of 25% and 50% when compared to the control group[1].
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| Cell Assay |
Cell Line: Breast cancer cell line: MCF-7, MDA-MB-231, T47D, ZR-75-1, etc
Colorectal cancer cell line: COLO-205, HCT-116, HCT-116 (p53-/-) Lung cancer cell line: A549, NCI-460 Osteosarcoma cancer cell line: U2OS, SaOS2 Prostate cancer cell line: PC3, LNCaP Concentration: 0-50 μM Incubation Time: 4 hours Result: Had anti-proliferative activities against a panel of cell lines, including breast, lung, prostate and colorectal cancer. |
| Animal Protocol |
7-week old female nu/nu-BALB/c athymic nude mice with MCF-7 cells[1]
5 mg/kg or 10 mg/kg; 10 mg/kg or 20 mg/kg Intraperitoneal injection; twice daily or once total daily; 14 days |
| References |
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| Molecular Formula |
C22H32N6.HCL
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|---|---|
| Molecular Weight |
416.99062
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| Exact Mass |
380.26884505
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| CAS # |
1092443-52-1
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| Related CAS # |
BS-181 hydrochloride;1397219-81-6;BS-181 dihydrochloride;1883548-83-1
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| Appearance |
solid
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| SMILES |
CC(C)C1=C2N=C(C=C(N2N=C1)NCC3=CC=CC=C3)NCCCCCCN
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| InChi Key |
DNYBIOICMDTDAP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)
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| Chemical Name |
-N-(6-aminohexyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
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| Synonyms |
BS-181
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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: ≥ 50 mg/mL (~131.4 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3 mg/mL (7.88 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 30.0 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: ≥ 3 mg/mL (7.88 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 30.0 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: ≥ 3 mg/mL (7.88 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 | 2.3981 mL | 11.9907 mL | 23.9814 mL | |
| 5 mM | 0.4796 mL | 2.3981 mL | 4.7963 mL | |
| 10 mM | 0.2398 mL | 1.1991 mL | 2.3981 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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