| Size | Price | Stock | Qty |
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| 50g |
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| Other Sizes |
| Targets |
1(2H)-Isoquinolinone has been identified as a therapeutic target for Poly [ADP-ribose] polymerase 1 (PARP1). PARP1 is an enzyme involved in DNA repair, and its inhibition is a validated strategy for cancer therapy, particularly in tumors with BRCA mutations. The compound's interaction with PARP1 suggests potential anticancer applications. Additionally, the Methyltransferase-like 3 (METTL3) has potential in affecting the response of this compound through regulating the expression of PARP1.
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| ln Vitro |
In vitro, 1(2H)-isoquinolinone is primarily used as a biochemical reagent and research tool. It has been proposed as a potential treatment for herpes simplex virus, although no confirmatory studies have been conducted. The mechanism of action for 1-hydroxyisoquinoline is not yet fully understood, but it is reported to inhibit the replication of DNA and RNA in cancer cells. This suggests that the compound may have direct antiproliferative effects in cell-based assays.
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| ln Vivo |
In vivo data for 1(2H)-isoquinolinone as a therapeutic agent are limited. The compound has been proposed as a treatment for herpes simplex virus, but no studies have been done to confirm this in vivo. As a biochemical reagent, it is not intended for direct therapeutic administration in humans. Its in vivo relevance is primarily indirect, through the biological activities of the final pharmaceutical compounds derived from its isoquinoline scaffold.
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| Enzyme Assay |
For in vitro enzyme/receptor binding studies, 1(2H)-isoquinolinone can be evaluated for its interaction with PARP1. Standard protocols involve incubating the compound with recombinant PARP1 enzyme and measuring its inhibitory activity using a chemiluminescent or colorimetric assay that detects PARP1-mediated poly(ADP-ribose) polymerisation. The compound's binding affinity can be determined by surface plasmon resonance (SPR) or isothermal titration calorimetry (ITC) to characterize its interaction with the enzyme's active site.
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| Cell Assay |
For in vitro cell-based experiments, 1(2H)-isoquinolinone can be evaluated for anticancer activity against cancer cell lines. Cells are seeded in 96-well plates and treated with the compound at various concentrations (typically 0.1-100 µM) for 24-72 hours. Cell viability is assessed using MTT or resazurin-based assays. The compound's ability to inhibit DNA and RNA replication in cancer cells can be measured using incorporation of labeled nucleotides or by quantifying nucleic acid synthesis.
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| Animal Protocol |
In vivo animal studies for 1(2H)-isoquinolinone are not well-documented. For potential anticancer or antiviral candidates derived from this scaffold, efficacy studies would typically be performed in mouse xenograft models of cancer or in viral challenge models. Standard in vivo protocols involve administration to rodents via oral gavage or intraperitoneal injection, with measurement of tumor volume, viral load, or survival as endpoints. Specific protocols for this compound are not available in the public literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 1(2H)-isoquinolinone are not well-characterized. The compound has a molecular weight of 145.16 g/mol, which is favorable for oral bioavailability. As a small, moderately polar isoquinolinone, it is expected to have reasonable membrane permeability. However, empirical pharmacokinetic data such as half-life, clearance, volume of distribution, protein binding, and oral bioavailability are not available for this compound in the public literature.
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| Toxicity/Toxicokinetics |
1(2H)-Isoquinolinone is a research chemical and should be handled with appropriate laboratory safety precautions. As an isoquinoline derivative, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications. Specific LD₅₀ values, acute toxicity classifications, and chronic toxicity data are not available in the public literature. Standard safety practices include the use of personal protective equipment and working in a well-ventilated area.
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| Additional Infomation |
Isoquinoline-1(2H)-one is a member of the isoquinoline class of compounds.
1(2H)-Isoquinolinone (1-Hydroxyisoquinoline, CAS 491-30-5) is primarily a research-grade biochemical reagent, not an FDA-approved pharmaceutical drug. Its primary applications are in life science research as a biological material or organic compound. The compound has been proposed for the treatment of herpes simplex virus and shows potential as a PARP1 inhibitor. No clinical trials or approved indications exist for this compound. It is intended for laboratory research use only. |
| Molecular Formula |
C9H7NO
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|---|---|
| Molecular Weight |
145.16
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| Exact Mass |
145.052
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| CAS # |
491-30-5
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| PubChem CID |
10284
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| Appearance |
Light brown to gray solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
406.3±18.0 °C at 760 mmHg
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| Melting Point |
212-216 °C
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| Flash Point |
199.5±21.2 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
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| Index of Refraction |
1.691
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| LogP |
0.59
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
11
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| Complexity |
198
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1C2=C([H])C([H])=C([H])C([H])=C2C([H])=C([H])N1[H]
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| InChi Key |
VDBNYAPERZTOOF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)
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| Chemical Name |
2H-isoquinolin-1-one
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 6.8890 mL | 34.4448 mL | 68.8895 mL | |
| 5 mM | 1.3778 mL | 6.8890 mL | 13.7779 mL | |
| 10 mM | 0.6889 mL | 3.4445 mL | 6.8890 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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