ITK/TRKA-IN-1

ITK/TRKA-IN-1 is a dual inhibitor of IL-2-inducible T-cell kinase (ITK) and tropomyosin receptor kinase A (TRKA) with an IC50 value of 1.0 nM and 96 % inhibition, respectively.

Product information

CAS Number: 2655557-54-1

Molecular Weight: 484.54

Formula: C25H30F2N6O2

Chemical Name: (2S)-N-{2-[(4aS, 5aR)-5, 5-difluoro-5a-methyl-1H, 4H, 4aH, 5H, 5aH, 6H-cyclopropa[f]indazol-3-yl]-6-methyl-1H-1, 3-benzodiazol-5-yl}-N-methyl-2-(morpholin-4-yl)propanamide

Smiles: C[C@@]12CC3NN=C(C4NC5=CC(C)=C(C=C5N=4)N(C)C(=O)[C@H](C)N4CCOCC4)C=3C[C@@H]1C2(F)F

InChiKey: PWTZWYZDFORBCV-OSZRXVRWSA-N

InChi: InChI=1S/C25H30F2N6O2/c1-13-9-16-17(11-19(13)32(4)23(34)14(2)33-5-7-35-8-6-33)29-22(28-16)21-15-10-20-24(3,25(20,26)27)12-18(15)30-31-21/h9,11,14,20H,5-8,10,12H2,1-4H3,(H,28,29)(H,30,31)/t14-,20-,24+/m0/s1

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: To be determined

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

References:

1. Bagley SW, et al. Benzimidazole Derivatives. WO2021124155A1.

Products are for research use only. Not for human use.