| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| ln Vitro |
In human cells, IRE1α kinase-IN-1 (Compound 31) suppresses endoribonuclease activity and stops IRE1α oligomerization and phosphorylation caused by endoplasmic reticulum stress [1]. With only 4 out of 455 kinases showing >70% inhibition, IRE1α kinase-IN-1 is incredibly selective. With an IC50 of 160 nM, IRE1α kinase-IN-1 prevents autophosphorylation of the recombinant G547 IRE1α KEN domain pS274. With an IC50 of 0.74 μM, IRE1α kinase-IN-1 suppresses tunicamycin-induced GFP-IRE1α foci in HEK293 cells. With an IC50 of 0.27 μM, IRE1α kinase-IN-1 prevents ATP site LanthaScreen tracer from binding to recombinant dephosphorylated G547 IRE1α KEN [1]. With an IC50 range of 0.68-1.63 μM, IRE1α kinase-IN-1 suppresses XBP1 luciferase fusion mRNA splicing in HEK293 cells that is stimulated by thapsigargin and tunicamycin [1]. In NCI-H929 cells, IRE1α kinase-IN-1 (0 – 20 μM) dose-dependently suppresses tunicamycin-induced XBP1 expression. IRE1α kinase-IN-1 (0 – 20 μM) reduces IRE1α-dependent XBP1s mRNA expression in H929 cells. inside cells [1].
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| References |
| Molecular Formula |
C26H26CLFN8
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|---|---|
| Molecular Weight |
504.99
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| Exact Mass |
504.195
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| CAS # |
2328097-41-0
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| PubChem CID |
139593294
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| Appearance |
White to off-white solid powder
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| LogP |
5.3
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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 |
6
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| Heavy Atom Count |
36
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| Complexity |
720
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| Defined Atom Stereocenter Count |
0
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| SMILES |
FC1C(=CC2=C(C=1)NC(NC1C=CC=CC=1)=N2)C1=CN=C2C(NCC3CCN(C)CC3)=CC(=NN12)Cl
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| InChi Key |
BPRAHARGXSNSSO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C26H26ClFN8/c1-35-9-7-16(8-10-35)14-29-22-13-24(27)34-36-23(15-30-25(22)36)18-11-20-21(12-19(18)28)33-26(32-20)31-17-5-3-2-4-6-17/h2-6,11-13,15-16,29H,7-10,14H2,1H3,(H2,31,32,33)
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| Chemical Name |
3-(2-anilino-6-fluoro-1H-benzimidazol-5-yl)-6-chloro-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine
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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: 25 mg/mL (49.51 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.95 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 25.0 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: ≥ 2.5 mg/mL (4.95 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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9802 mL | 9.9012 mL | 19.8024 mL | |
| 5 mM | 0.3960 mL | 1.9802 mL | 3.9605 mL | |
| 10 mM | 0.1980 mL | 0.9901 mL | 1.9802 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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