| Field | Specification |
|---|---|
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C41H49F2N9O3 |
| SMILES | |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
ITK degrader 2 is an orally active ITK PROTAC degrader with a DC50 value of less than 0.001 nM that degrades ITK via the ubiquitin-proteasome pathway, and it can be used in research on cancer, autoimmune diseases and inflammatory diseases[1]. It has a molecular formula of C41H49F2N9O3 and a molecular weight of 753.88 g/mol.
Physical & Chemical Properties
| CAS Number | 2858738-65-3 |
|---|---|
| Molecular Formula | C41H49F2N9O3 |
| Molecular Weight | 753.88 g/mol |
| SMILES | C[C@@]12[C@@](CC3=C(NN=C3C(NC4=C5)=CC4=CC=C5N(C)C([C@@H](N6CCN(CC6)CC7CCN(C8=CC=C(C9C(NC(CC9)=O)=O)C=N8)CC7)C)=O)C2)([H])C1(F)F |
| Signaling Pathway | PROTAC; Protein Tyrosine Kinase/RTK |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
[1]. Wegrzyniak, et al. Substituted piperidinedione and dioxotetrahydropyrimidine compounds for inhibiting or degrading target proteins, compositions, comprising the same, methods of their making, and methods of their use. World Intellectual Property Organization, WO2022235698 A1 2022-11-10.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with your institution's chemical hygiene plan.
In Vitro
In C-terminal HiBiT-tagged Molt4 cells, ITK degrader 2 (1 pM-0.512 μM; 4 h) degrades ITK, with a DC50 < 0.001 nM and a Dmax of 85%[1].
In Vivo
In mice, ITK degrader 2 (6, 24 h) shows oral pharmacokinetic properties: Cmax 0.87 μM, Tmax 2 h, AUCLast 1.25 h·μM[1].
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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