| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg | |||
| Other Sizes |
| Targets |
ROCK1 and ROCK2 (Rho-associated coiled-coil containing protein kinases). IC50 = 1.22 nM (ROCK1); IC50 = 0.51 nM (ROCK2). Kd < 2 nM for both isoforms.
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|---|---|
| ln Vitro |
HSD1590 demonstrates remarkable migratory attenuation at 0.5-1 µM over a 24-hour period [1]. HSD1590 (0.5–10 µM; 12–24 hours) demonstrated that the excellent suppression of migration seen was caused by the inhibition of viable cell migration rather than cell death [1].
HSD1590 (0.5-1 uM; 24h) exhibits significant attenuation of cell migration. At 0.5-10 uM (12-24h), the observed migration inhibition is not due to cell death but specifically inhibition of live cell migration, confirming low cytotoxicity. |
| ln Vivo |
In vivo activity specific to HSD1590 as a ROCK inhibitor is not extensively detailed in standard references; however, ROCK inhibitors classically show efficacy in animal models of hypertension, glaucoma, and cancer metastasis. Oral bioavailability is suggested by the compound‘s design.
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| Enzyme Assay |
ROCK1/2 kinase assays: Recombinant ROCK1/2 incubated with ATP and substrate (e.g., Long S6 peptide) in presence of varying HSD1590 concentrations. Phosphorylation quantified by fluorescence polarization or radioactive methods; IC50 calculated from dose-response curves.
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| Cell Assay |
Cell Viability Assay [1]
Cell Types: MDA-MB-23 Cell Tested Concentrations: 0.5-10 µM Incubation Duration: 12-24 hrs (hours) Experimental Results: Approximately 80% viability was demonstrated at 12 hrs (hours) and the overall viability was 63% at 24 hrs (hours). Cell migration assays: Wound-healing (scratch) assay performed in cancer cell lines (e.g., MDA-MB-231). Cells treated with HSD1590 (0.5-10 uM) for 12-24h, gap closure measured by microscopy. Cytotoxicity excluded via parallel viability assays (MTT/PI staining) to confirm migration-specific effects. |
| Animal Protocol |
Animal protocols for HSD1590 specifically are not detailed in public literature; typical ROCK inhibitor in vivo studies utilize xenograft or metastasis mouse models with oral gavage administration, measuring primary tumor growth or lung metastatic nodule formation.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for HSD1590 not detailed in standard references; molecular weight 359.19; predicted moderate lipophilicity (cLogP ~3.2). As an orally bioavailable ROCK inhibitor, it likely has reasonable half-life and oral exposure, though specific PK parameters (AUC, Cmax, T1/2) have not been reported.
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| Toxicity/Toxicokinetics |
HSD1590 displays low cytotoxicity in cell-based assays at concentrations up to 10 uM. No acute or sub-chronic toxicity data available in public literature; low cytotoxicity profile suggests favorable safety for in vitro and potentially in vivo studies. Aquatic toxicity unknown; standard lab precautions recommended.
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| References | |
| Additional Infomation |
HSD1590 is a novel 3H-pyrazolo[4,3-f]quinoline boronic acid ROCK inhibitor. It shows single-digit nanomolar binding to ROCK and low toxicity, distinguishing it from earlier ROCK inhibitors. Currently a research tool for cancer cell migration studies; no clinical trials reported. Potential applications in oncology and cardiovascular diseases (e.g., glaucoma, hypertension).
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| Molecular Formula |
C20H18BN3O3
|
|---|---|
| Molecular Weight |
359.186224460602
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| Exact Mass |
359.144
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| CAS # |
2379279-96-4
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| PubChem CID |
139030519
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| Appearance |
White to off-white solid powder
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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 |
3
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| Heavy Atom Count |
27
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| Complexity |
539
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C)C1C(B(O)O)=CC=CC=1C1C2CCCC=2C2C3C=NNC=3C=CC=2N=1
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| InChi Key |
WTZMCUOBQPTERK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H18BN3O3/c1-27-20-13(6-3-7-15(20)21(25)26)19-12-5-2-4-11(12)18-14-10-22-24-16(14)8-9-17(18)23-19/h3,6-10,25-26H,2,4-5H2,1H3,(H,22,24)
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| Chemical Name |
[2-methoxy-3-(4,5,10-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),3,7,10,12(16)-hexaen-11-yl)phenyl]boronic acid
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| Synonyms |
HSD 1590; HSD-1590
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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 : ~100 mg/mL (~278.40 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 6.25 mg/mL (17.40 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 62.5 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: ≥ 6.25 mg/mL (17.40 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 62.5 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: ≥ 6.25 mg/mL (17.40 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 | 2.7840 mL | 13.9202 mL | 27.8404 mL | |
| 5 mM | 0.5568 mL | 2.7840 mL | 5.5681 mL | |
| 10 mM | 0.2784 mL | 1.3920 mL | 2.7840 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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