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BDP5290 is a novel, potent inhibitor of both ROCK and MRCK with IC50s of 5 nM, 50 nM, 10 nM and 100 nM for ROCK1, ROCK2, MRCKα and MRCKβ, respectively. 3 μM. BDP5290 totally prevents phosphorylation of the myosin II light chain (MLC) caused by MRCKβ, but not that of ROCK1 or ROCK2. At higher concentrations, MLC phosphorylation (pMLC) is reduced by BDP5290 to undetectable levels.
| Targets |
ROCK1 (IC50 = 5 nM); ROCK2 (IC50 = 50 nM); MRCKα (IC50 = 10 nM); MRCKβ (IC50 = 100 nM)
BDP5290's Ki for MRCKα is 10 nM, marginally greater than MRCKβ's Ki of 4 nM. The phosphorylation of myosin II light chain (MLC) caused by MRCKβ is entirely inhibited by 3 μM BDP5290, but not by ROCK1 or ROCK2. Increased BDP5290 concentrations cause MLC phosphorylation (pMLC) to drop to undetectable levels. At every tested concentration, beginning at 0.1 μM, BDP5290 decreases MDA-MB-231 invasion, reaching nearly complete inhibition at 10 μM. Cell viability is marginally decreased with an EC50 value >10 μM after 24 hours in the presence of BDP5290. At 1 μM BDP5290, which has no effect on cell viability, wound closure is inhibited by more than 60%[2]. |
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| ln Vitro |
BDP5290's Ki for MRCKα is 10 nM, marginally greater than MRCKβ's Ki of 4 nM. The phosphorylation of myosin II light chain (MLC) caused by MRCKβ is entirely inhibited by 3 μM BDP5290, but not by ROCK1 or ROCK2. Increased BDP5290 concentrations cause MLC phosphorylation (pMLC) to drop to undetectable levels. At every tested concentration, beginning at 0.1 μM, BDP5290 decreases MDA-MB-231 invasion, reaching nearly complete inhibition at 10 μM. Cell viability is marginally decreased with an EC50 value >10 μM after 24 hours in the presence of BDP5290. At 1 μM BDP5290, which has no effect on cell viability, wound closure is inhibited by more than 60%[2].
BDP5290 was found to be more effective at reducing human breast cancer MDA-MB-231 cell invasion through Matrigel compared with Y27632. [1] The ability of human SCC12 squamous cell carcinoma cells to invade a 3D collagen matrix was strongly inhibited by 2 μM BDP5290 but not by the identical concentration of Y27632, despite equivalent inhibition of myosin light chain (MLC) phosphorylation. [1] |
| Cell Assay |
For the invasion assay through Matrigel, MDA-MB-231 cells were likely seeded in transwell inserts coated with Matrigel. BDP5290 and Y27632 were added, and after an incubation period, cells that invaded through the Matrigel to the lower side of the membrane were fixed, stained, and counted to quantify invasion inhibition. [1]
For the 3D collagen matrix invasion assay, SCC12 squamous cell carcinoma cells were embedded within a 3D collagen gel. The cells were treated with 2 μM BDP5290 or Y27632. Cell invasion into the surrounding collagen matrix was then assessed, likely by microscopy, to evaluate the inhibitory effect of the compounds. [1] To assess the effect on myosin light chain (MLC) phosphorylation, cells treated with BDP5290 or Y27632 were lysed. The lysates were subjected to Western blot analysis using antibodies specific for phosphorylated MLC and total MLC to confirm that both inhibitors achieved equivalent levels of MLC phosphorylation inhibition. [1] |
| References | |
| Additional Infomation |
BDP5290 is a second-generation ROCK and/or MRCK inhibitor designed to improve upon first-generation inhibitors (such as fasudil and Y-27632). First-generation inhibitors have poor specificity and may induce amoeba-like mesenchymal transition (AMT), failing to completely block invasiveness. BDP5290, however, exhibits significantly higher specificity. [1] BDP5290 is classified as a migration inhibitor candidate, a class of drugs designed to interfere with all modes of cancer cell invasion and metastasis, with its primary mechanism of action being targeting downstream effector mechanisms such as actin contraction. [1]
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| Molecular Formula |
C17H18CLN7O
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|---|---|
| Molecular Weight |
371.824120998383
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| Exact Mass |
407.1
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| Elemental Analysis |
C, 50.01; H, 4.69; Cl, 17.37; N, 24.01; O, 3.92
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| CAS # |
1817698-21-7
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| Related CAS # |
1817698-21-7
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| PubChem CID |
85325326
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| Appearance |
White to off-white solid powder
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| LogP |
1
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
26
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| Complexity |
490
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
BPVZKUXLOLRECL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H18ClN7O/c18-12-10-25(11-4-7-19-8-5-11)24-15(12)17(26)22-14-9-21-23-16(14)13-3-1-2-6-20-13/h1-3,6,9-11,19H,4-5,7-8H2,(H,21,23)(H,22,26)
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| Chemical Name |
4-chloro-1-piperidin-4-yl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyrazole-3-carboxamide
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| Synonyms |
BDP00005290; BDP-5290; BDP5290 HCl; BDP 5290
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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: ~12.5 mg/mL (~33.6 mM)
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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 | 2.6895 mL | 13.4474 mL | 26.8947 mL | |
| 5 mM | 0.5379 mL | 2.6895 mL | 5.3789 mL | |
| 10 mM | 0.2689 mL | 1.3447 mL | 2.6895 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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