| Identification | Back Directory | [Name]
4-(1-(2-amino-5-chloropyrimidin-4-yl)-2-(thiaol-2-yl)but-30-yn-2-ol | [CAS]
1202764-53-1 | [Synonyms]
B022
4-(1-(2-amino-5-chloropyrimidin-4-yl)-2-(thiaol-2-yl)but-30-yn-2-ol
2-Thiazolemethanol, α-[2-[1-(2-amino-5-chloro-4-pyrimidinyl)-2,3-dihydro-1H-indol-6-yl]ethynyl]-α-methyl- | [Molecular Formula]
C19H16ClN5OS | [MDL Number]
MFCD32645350 | [MOL File]
1202764-53-1.mol | [Molecular Weight]
397.88 |
| Chemical Properties | Back Directory | [Boiling point ]
644.4±65.0 °C(Predicted) | [density ]
1.53±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO: 250 mg/mL (628.33 mM) | [form ]
Solid | [pka]
10.71±0.29(Predicted) | [color ]
Light yellow to yellow | [SMILES]
ClC1=CN=C(N)N=C1N2C3=CC(C#CC(C4=NC=CS4)(C)O)=CC=C3CC2 |
| Safety Data | Back Directory | [WGK Germany ]
WGK 3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Skin Irrit. 2 |
| Hazard Information | Back Directory | [Uses]
B022 is a potent and selective NF-κB-inducing kinase (NIK) inhibitor (Ki of 4.2 nM; IC50=15.1 nM). B022 protects liver from toxin-induced inflammation, oxidative stress, and injury[1][2]. B022 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups. | [Biological Activity]
B022 is a potent and selective NF-κB-inducible kinase (NIK) inhibitor with Ki of 4.2 nM. B022 protects the liver from inflammation, oxidative stress and damage caused by toxins. | [in vitro]
B022 (0-5 μM; 12 hours; Hepa1 cells) treatment suppresses NIK-induced p52 formation in a dose-dependent manner.
B022 (0-5 μM; 12 hours; Hepa1 cells) treatment for 8 h completely blocks NIK-induced expression of TNF-a, IL-6, iNOS, CCL2, and CXCL5. Western Blot Analysis | Cell Line: | Hepa1 cells | | Concentration: | 0 μM, 0.5 μM, 5 μM | | Incubation Time: | 12 hours | | Result: | Suppressed NIK-induced p52 formation in a dose-dependent manner. | td> | RT-PCR | Cell Line: | Hepa1 cells | | Concentration: | 0 μM, 0.5 μM, 5 μM | | Incubation Time: | 12 hours | | Result: | Dose-dependently blocked NIK-induced expression of chemokines, cytokines, and iNOS in these cells. Completely blocked NIK-induced expression of TNF-a, IL-6, iNOS, CCL2, and CXCL5. | < /span> | [in vivo]
B022 (30 mg/kg; intravenous injection; twice a day; for 10 days; STOP-NIK male mice) treatment inhibits NIK-triggered liver inflammation and injury in STOP-NIK mice infected with cre adenoviruses. < /p> < tr> | Animal Model: | STOP-NIK male mice (8 weeks) infected with Ad-cre | | Dosage: | 30 mg/kg | | Administration: | Intravenous injection; twice a day; for 10 days | | Result: | Completely prevents the lethal effect of abnormally high levels of hepatic NIK in mice. Inhibited the majority of the deteriorating effects of aberrant activation of hepatic NIK. | | [target]
Ki: 4.2 nM (NF-κB-inducing kinase (NIK)) | [References]
[1] Ren X, et al. A small-molecule inhibitor of NF-κB-inducing kinase (NIK) protects liver from toxin-induced inflammation, oxidative stress, and injury. FASEB J. 2017 Feb;31(2):711-718. DOI:10.1096/fj.201600840R
[2] Li Z, et al. Discovery of a Potent and Selective NF-κB-Inducing Kinase (NIK) Inhibitor That Has Anti-inflammatory Effects in Vitro and in Vivo. J Med Chem. 2020;63(8):4388-4407. DOI:10.1021/acs.jmedchem.0c00396
[3] Li X, et al. Activation of NF-κB-Inducing Kinase in Islet β Cells Causes β Cell Failure and Diabetes. Mol Ther. 2020;28(11):2430-2441. DOI:10.1016/j.ymthe.2020.07.016 |
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