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| Targets |
Integrated stress response (ISR) pathway. ISR-IN-1 is a potent inhibitor of the integrated stress response with an EC₅₀ of 0.6 nM. The integrated stress response is a cellular signaling pathway activated by various stress conditions through phosphorylation of eukaryotic translation initiation factor 2α (eIF2α). By inhibiting the ISR, the compound modulates cellular stress responses and may have therapeutic potential in diseases where the ISR is dysregulated.
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| ln Vitro |
ISR-IN-1 is a potent inhibitor of the integrated stress response with an EC₅₀ of 0.6 nM. The compound’s in vitro activity includes inhibition of ISR signaling pathways in cell-based assays. Its specific in vitro activities depend on the concentrations tested and the assay systems used. Further studies are needed to fully characterize its activity profile, including its effects on eIF2α phosphorylation and downstream signaling.
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| ln Vivo |
In vivo studies of ISR-IN-1 are limited. As a potent ISR inhibitor, it has potential for evaluation in animal models of diseases where the ISR is involved, including cancer, neurodegeneration, and metabolic disorders. The compound may modulate cellular stress responses and have therapeutic potential. Further in vivo studies are needed to characterize its pharmacokinetic and pharmacodynamic properties, as well as its efficacy and safety profile.
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| Enzyme Assay |
Non-cell-based assays for ISR-IN-1 include ISR pathway inhibition assays using cell-free systems. eIF2α phosphorylation assays can be performed using purified components. The compound’s ability to inhibit eIF2α phosphorylation or downstream ISR signaling is measured. Standard analytical methods including HPLC, NMR, and mass spectrometry are used for compound characterization and purity assessment.
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| Cell Assay |
Cell-based assays for ISR-IN-1 use various cell lines to assess inhibition of the integrated stress response. Cells are treated with stress inducers (e.g., thapsigargin for ER stress, arsenite for oxidative stress) in the presence or absence of the compound. ISR activation is assessed by measuring eIF2α phosphorylation by Western blot, ATF4 expression by qPCR or Western blot, and CHOP expression. The EC₅₀ of 0.6 nM is determined from dose-response curves.
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| Animal Protocol |
In vivo studies of ISR-IN-1 are limited. Based on its mechanism of action, potential animal models include: tumor models for evaluating anticancer effects; neurodegeneration models for evaluating neuroprotective effects; and metabolic disorder models. Standard protocols for these models involve administration of the compound followed by measurement of relevant endpoints.
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| ADME/Pharmacokinetics |
ISR-IN-1 has a molecular formula of C₂₂H₂₂Cl₂F₂N₂O₄ and a molecular weight of 487.32 g/mol. The CAS number is 1628478-15-8. Synonyms include trans-isrib A17 and Compound 48. Purity is >98%. The compound should be stored under recommended conditions, protected from light. It is intended for research use only.
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| Toxicity/Toxicokinetics |
Specific toxicity data for ISR-IN-1 are limited. As a potent ISR inhibitor with an EC₅₀ of 0.6 nM, it may have significant biological activity at very low concentrations. The compound is intended for research use only and is not for human therapeutic applications. Standard laboratory safety practices should be followed when handling this compound.
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| References | |
| Additional Infomation |
ISR-IN-1 (trans-isrib A17, Compound 48) is a potent inhibitor of the integrated stress response (ISR) with an EC₅₀ of 0.6 nM. The integrated stress response is a cellular signaling pathway activated by various stress conditions through phosphorylation of eIF2α. ISR-IN-1 is used as a research tool to study the role of the ISR in diseases including cancer, neurodegeneration, and metabolic disorders. It is intended for research use only.
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| Molecular Formula |
C22H22CL2F2N2O4
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| Molecular Weight |
487.323891162872
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| Exact Mass |
486.092
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| CAS # |
1628478-15-8
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| PubChem CID |
90446753
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
5
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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 |
573
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C1C=CC(Cl)=C(F)C=1)CC(=O)N[C@@H]1CC[C@@H](NC(=O)COC2C=CC(Cl)=C(F)C=2)CC1
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| InChi Key |
BLLMXZJTGLCEBP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H22Cl2F2N2O4/c23-17-7-5-15(9-19(17)25)31-11-21(29)27-13-1-2-14(4-3-13)28-22(30)12-32-16-6-8-18(24)20(26)10-16/h5-10,13-14H,1-4,11-12H2,(H,27,29)(H,28,30)
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| Chemical Name |
2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]cyclohexyl]acetamide
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 (25.65 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 | 2.0520 mL | 10.2602 mL | 20.5204 mL | |
| 5 mM | 0.4104 mL | 2.0520 mL | 4.1041 mL | |
| 10 mM | 0.2052 mL | 1.0260 mL | 2.0520 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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