Biological Activity
Potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitor (IC50 = 19 nM). Displays 200-fold selectivity over Tec family kinases and 55-fold selectivity over other kinases tested. Reduces HIV infection of primary CD4+ T cells and attenuates the establishment of HIV infection in vitro. Reduces T cell proliferation and IL-2 production in vitro. Reduces lung inflammation in a mouse model of ovalbumin-induced allergy/asthma.
Technical Data
| M. Wt | 623.83 |
| Formula | C32H41N5O4S2 |
| Storage | Store at -20°C |
| Purity | ≥97% (HPLC) |
| CAS Number | 439575-02-7 |
| PubChem ID | 11467730 |
| InChI Key | ZHXNIYGJAOPMSO-UHFFFAOYSA-N |
| Smiles | COC1=CC(C)=C(SC3=CN=C(NC(C4=CC=C(CNC(C)C(C)(C)C)C=C4)=O)S3)C=C1C(N2CCN(C(C)=O)CC2)=O |
The technical data provided above is for guidance only. For batch specific data refer to the Certificate of Analysis.
All Tocris products are intended for laboratory research use only.
Solubility Data
| Solvent | Max Conc. mg/mL | Max Conc. mM | |
|---|---|---|---|
| Solubility | |||
| 1eq. HCl | 62.38 | 100 | |
| DMSO | 31.19 | 50 |
Preparing Stock Solutions
The following data is based on the product molecular weight 623.83. Batch specific molecular weights may vary from batch to batch due to solvent of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.6 mL | 8.02 mL | 16.03 mL |
| 5 mM | 0.32 mL | 1.6 mL | 3.21 mL |
| 10 mM | 0.16 mL | 0.8 mL | 1.6 mL |
| 50 mM | 0.03 mL | 0.16 mL | 0.32 mL |
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Product Datasheets
References
References are publications that support the products' biological activity.
Kutach et al (2010) Crystal structures of IL-2-inducible T cell kinase complexed with inhibitors: insights into rational drug design and activity regulation. Chem Biol Drug Des. 76 154 PMID: 20545945
Das et al (2006) Discovery and SAR of 2-amino-5-(thioaryl)thiazoles as potent and selective Itk inhibitors. Bioorg.Med.Chem.Lett. 16 3706 PMID: 16682193
Readinger et al (2008) Selective targeting of ITK blocks multiple steps of HIV replication. Proc.Natl.Acad.Sci.U.S.A. 105 6684 PMID: 18443296
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