[CAS NO. 1553977-42-6] IBT6Ahydrochloride
PRODUCTS SPECIFICATIONS [1553977-42-6]
DESCRIPTION [1553977-42-6]
Overview
| MDL | MFCD28167750 |
|---|---|
| Molecular Weight | 422.91 |
| Molecular Formula | C22H23ClN6O |
| SMILES | NC1=C2C(N([C@H]3CNCCC3)N=C2C4=CC=C(OC5=CC=CC=C5)C=C4)=NC=N1.Cl |
Summary
IBT6A hydrochloride is an impurity of Ibrutinib. IBT6A can be used in synthesis of IBT6A Ibrutinib dimer and IBT6A adduct [1] . Ibrutinib is a selective, irreversible Btk inhibitor with an IC 50 of 0.5 nM [2] .
In Vitro
IBT6A (Compound 14) can be used in synthesis of Ibrutinib and Ibrutinib-based activity-based probes (ABPs) [3] .
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Appearance
Solid
Shipping
Room temperature in continental US; may vary elsewhere.
Storage
4°C, sealed storage, away from moisture
* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)
Solvent & Solubility
DMSO : 100 mg/mL ( 236.46 mM ; Need ultrasonic)
Stock Solutions
| Concentration Solvent Mass | 1 mg | 5 mg | 10 mg |
|---|
| 1 mM | 2.3646 mL | 11.8228 mL | 23.6457 mL |
| 5 mM | 0.4729 mL | 2.3646 mL | 4.7291 mL |
| 10 mM | 0.2365 mL | 1.1823 mL | 2.3646 mL |
References
- [1] Somana Siva Prasad, et al. A QUALITY BY DESIGN APPROACH FOR DEVELOPMENT OF SIMPLE AND ROBUST REVERSED PHASE STABILITY INDICATING HPLC METHOD FOR ESTIMATION OF IBRUTINIB AND ITS IMPURITIES.
- [2] Honigberg LA, et al. The Bruton tyrosine kinase inhibitor PCI-32765 blocks B-cell activation and is efficacious in models of autoimmune disease and B-cell malignancy. Proc Natl Acad Sci U S A. 2010 Jul 20;107(29):13075-80.
- [3] Liu N, et al. Direct and two-step bioorthogonal probes for Bruton's tyrosine kinase based on ibrutinib: a comparative study. Org Biomol Chem. 2015 May 14;13(18):5147-57.
