| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
ROCK2 (Rho-associated coiled-coil containing protein kinase 2). Zelasudil selectively binds to ROCK2 with high affinity, distinguishing it from ROCK1 inhibitors. The compound's selectivity for ROCK2 over other kinases is a key feature of its pharmacological profile. ROCK2 is involved in actin cytoskeleton organization, cell migration, fibrosis, and immune regulation.
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| ln Vitro |
Zelasudil demonstrates potent ROCK2 binding affinity in biochemical assays. In cellular models, it elicits positive immunomodulatory effects by increasing CD8+ and CD4+ T cell infiltration into the tumor cortex while reducing immunosuppressive FOXP3+ regulatory T cells at the tumor border. These effects suggest a role in reversing immune suppression in the tumor microenvironment.
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| ln Vivo |
In a bleomycin-induced mouse lung fibrosis model, Zelasudil (5–100 mg/kg, oral administration, once daily for 21 days) reduced fibrosis and collagen deposition and inhibited expression of multiple fibrosis-related genes. In metastatic pancreatic tumor models, the compound increased T cell infiltration into tumors. These findings support its potential for treating fibrotic and oncological indications.
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| Enzyme Assay |
In vitro enzyme assays for ROCK2 inhibition are performed using recombinant ROCK2 kinase and appropriate peptide substrates in the presence of ATP. Zelasudil is incubated at varying concentrations (typically nM to μM range) with the kinase reaction mixture. Phosphorylation is detected by radioactivity (using ³³P-ATP) or by fluorescence-based methods (e.g., ADP-Glo or Transcreener assays). IC50 values are calculated from dose-response curves.
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| Cell Assay |
Cells (e.g., T cells, fibroblasts, or pancreatic cancer cell lines) are cultured and treated with Zelasudil at concentrations ranging from 0.1–10 μM for 24–72 hours. T cell infiltration markers (CD8, CD4, FOXP3) are assessed by flow cytometry or immunohistochemistry. Fibrosis-related gene expression is evaluated by qPCR. Cell migration and cytoskeletal organization are assessed by wound-healing or transwell assays.
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| Animal Protocol |
In bleomycin-induced pulmonary fibrosis models, C57Bl/6 mice receive intratracheal bleomycin on day 0. Zelasudil is administered orally at 5–100 mg/kg daily for 21 days. Lung tissues are collected for histological analysis (Masson's trichrome staining for collagen, hydroxyproline assay) and qPCR for fibrotic markers (alpha-SMA, collagen type I, fibronectin). In pancreatic tumor models, compound is administered orally and tumor infiltration is assessed by immunohistochemistry.
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| ADME/Pharmacokinetics |
Zelasudil is orally bioavailable with favorable pharmacokinetic properties. It has a LogP of 4.2. The compound is soluble in DMSO (87 mg/mL). In vivo formulation can be prepared in CMC-Na for oral administration or in DMSO/PEG300/Tween 80/saline mixtures for injection. Detailed PK parameters (half-life, Cmax, AUC) have not been disclosed in publicly available literature.
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| Toxicity/Toxicokinetics |
Toxicology data for Zelasudil are limited to preclinical studies. No systematic toxicological evaluation has been published in peer-reviewed literature. The compound is for research use only and not approved for human therapeutic use. In animal studies at tested doses (5–100 mg/kg), no significant toxicity was reported. Standard safety precautions should be observed.
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| References | |
| Additional Infomation |
Zelasudil (CAS: 2365193-22-0, molecular formula C22H21F2N7O, molecular weight 437.45) has been studied for fibrosis and pancreatic cancer. It has received INN designation (zelasudil) and FDA UNII code EEF2SY7GG2. References include patent WO2022169946 and PubMed ID 34610720. Not in clinical trials.
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| Molecular Formula |
C22H21F2N7O
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|---|---|
| Molecular Weight |
437.445250272751
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| Exact Mass |
437.177
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| CAS # |
2365193-22-0
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| PubChem CID |
155792249
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| Appearance |
Light yellow to light brown solid powder
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| LogP |
4.2
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
32
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| Complexity |
658
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(NCC(F)F)(=O)C1=CC=C(C2N=C(NC3C=CC4=C(C=3C3CC3)C=NN4)N(C)N=2)C=C1
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| InChi Key |
HSZPZEGJQCFGDE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H21F2N7O/c1-31-22(27-17-9-8-16-15(10-26-29-16)19(17)12-2-3-12)28-20(30-31)13-4-6-14(7-5-13)21(32)25-11-18(23)24/h4-10,12,18H,2-3,11H2,1H3,(H,25,32)(H,26,29)(H,27,28,30)
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| Chemical Name |
4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide
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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 (~228.6 mM; with ultrasonication)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (5.71 mM) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution; with ultrasonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: 2.5 mg/mL (5.71 mM) 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; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2860 mL | 11.4299 mL | 22.8598 mL | |
| 5 mM | 0.4572 mL | 2.2860 mL | 4.5720 mL | |
| 10 mM | 0.2286 mL | 1.1430 mL | 2.2860 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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