| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg | |||
| Other Sizes |
Purity: ≥98%
| Targets |
Chroman 1 targets Rho-associated coiled-coil kinases (ROCK1 and ROCK2), acting as a potent inhibitor. It is more potent against ROCK2 (IC50 = 1 pM) than ROCK1 (IC50 = 52 pM). The compound also inhibits MRCK with an IC50 of 150 nM. By inhibiting ROCK, it modulates the actin cytoskeleton, cell contraction, and cell migration.
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| ln Vitro |
Human pluripotent stem cells' fluorescence is decreased and caspase-3/7 activation is inhibited by chroman 1 (50 nM, 24 hours) [1].
In vitro, Chroman 1 inhibits ROCK2 with an IC50 of 1 pM and ROCK1 with an IC50 of 52 pM. It inhibits MRCK with an IC50 of 150 nM. The compound demonstrates no effect on PKA or AKT1 at concentrations up to 20,000 nM. In human pluripotent stem cells (hESCs), treatment with 50 nM Chroman 1 for 24 hours decreases fluorescence and inhibits caspase-3/7 activation. |
| ln Vivo |
In vivo, Chroman 1 has been studied for its effects on stem cell survival and apoptosis. As a highly potent and selective ROCK inhibitor, it is used as a research tool to study the role of ROCK in various biological processes, including cell migration, proliferation, and differentiation. Detailed in vivo efficacy data are limited.
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| Enzyme Assay |
In vitro assays for Chroman 1 typically measure its inhibition of ROCK kinase activity. The kinase is incubated with ATP and a substrate in the presence of varying concentrations of the compound. Phosphorylation of the substrate is measured using a luminescent or fluorescent readout. IC50 values are calculated from inhibition curves. Selectivity is assessed against a panel of kinases.
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| Cell Assay |
Apoptosis analysis [1]
Cell Types: hESCs (human pluripotent stem cells) (WA09) Tested Concentrations: 50 nM Incubation Duration: 0-12 hrs (hours) or 24 hrs (hours) Experimental Results: diminished number of apoptotic cells and diminished caspase-3/7 activation. Western Blot Analysis[1] Cell Types: hESC (human pluripotent stem cells) (WA09) Tested Concentrations: 50 nM Incubation Duration: 24 hrs (hours) Experimental Results: Partial inhibition of caspase-3 activation. Cellular assays for Chroman 1 are performed using human pluripotent stem cells (hESCs). Cells are treated with Chroman 1 at concentrations such as 50 nM for 24 hours. Apoptosis is assessed by measuring caspase-3/7 activation and by fluorescence imaging. Western blotting is used to measure caspase-3 activation. |
| Animal Protocol |
In vivo animal studies with Chroman 1 are limited, as it is primarily a research compound. When used, it is typically administered to animal models to study the role of ROCK in various diseases. Detailed dosing regimens and protocols are not widely available. The compound's potent activity suggests it would be effective at very low doses.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Chroman 1 are limited. Its molecular weight is 436.512 g/mol. The compound has a logP of 3.865, suggesting moderate lipophilicity and good membrane permeability. For research use, it is typically dissolved in DMSO for in vitro studies and formulated in suitable vehicles for in vivo administration.
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| Toxicity/Toxicokinetics |
Comprehensive toxicological data for Chroman 1 are limited. In cell-based assays, the compound shows activity at picomolar concentrations, indicating high potency. No significant cytotoxicity has been reported at the doses used for ROCK inhibition studies. The compound is intended for laboratory research only and should be handled with standard safety precautions.
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| References | |
| Additional Infomation |
Chroman 1 is a research compound used as a pharmacological tool to study ROCK function. It is a highly potent and selective ROCK inhibitor with greater potency against ROCK2 (IC50 = 1 pM) than ROCK1 (IC50 = 52 pM). The compound is used in stem cell research to inhibit apoptosis and promote survival. It is not approved for clinical use and is intended for laboratory research only.
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| Molecular Formula |
C24H28N4O4
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|---|---|
| Molecular Weight |
436.512
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| Exact Mass |
436.211
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| CAS # |
1273579-40-0
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| Related CAS # |
Chroman 1 dihydrochloride
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| PubChem CID |
66577033
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| Appearance |
White to pink solid powder
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| LogP |
3.865
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
32
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| Complexity |
607
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CN(C)CCOC1=C(C=CC(=C1)C2=CNN=C2)NC(=O)[C@H]3CC4=C(C=CC(=C4)OC)OC3
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| InChi Key |
O=C([C@@H]1COC2=C(C=C(OC)C=C2)C1)NC3=CC=C(C4=CNN=C4)C=C3OCCN(C)C
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| InChi Code |
InChI=1S/C24H28N4O4/c1-28(2)8-9-31-23-12-16(19-13-25-26-14-19)4-6-21(23)27-24(29)18-10-17-11-20(30-3)5-7-22(17)32-15-18/h4-7,11-14,18H,8-10,15H2,1-3H3,(H,25,26)(H,27,29)/t18-/m0/s1
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| Chemical Name |
(3S)-N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
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| Synonyms |
Chroman 1 Chroman-1 Chroman1.
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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 : ≥ 50 mg/mL (~114.55 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3.25 mg/mL (7.45 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 32.5 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 2: 2.5 mg/mL (5.73 mM) in 5% DMSO + 40% PEG300 + 5% Tween80 + 50% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O 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 | 2.2909 mL | 11.4545 mL | 22.9090 mL | |
| 5 mM | 0.4582 mL | 2.2909 mL | 4.5818 mL | |
| 10 mM | 0.2291 mL | 1.1454 mL | 2.2909 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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