ITK inhibitor

Interleukin-2-inducible T cell kinase (ITK) is a non-receptor tyrosine kinase expressed in T cells, NKT cells and mast cells which plays a crucial role in regulating the T cell receptor (TCR), CD28, CD2, chemokine receptor CXCR4, and FcepsilonR-mediated signaling pathways. ITK inhibitors can be used for the treatment of inflammation and immune-mediated disorders. ITK inhibitor (N-[5-[[3-[(4-Acetylpiperazin-1-yl)carbonyl]-4-methyl-6-methoxy-phenyl]thio]thiazol-2-yl]-4-(N-1, 2-dimethylpropylaminomethyl)benzamide) is the analogue of BMS-509744, which can potently and selectively inhibit Itk kinase activity.

Product information

CAS Number: 439574-61-5

Molecular Weight: 609.80

Formula: C31H39N5O4S2

Chemical Name: N-(5-{[5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl]sulfanyl}-1,3-thiazol-2-yl)-4-{[(3-methylbutan-2-yl)amino]methyl}benzamide

Smiles: CC(C)C(C)NCC1=CC=C(C=C1)C(=O)NC1=NC=C(SC2=CC(=C(C=C2C)OC)C(=O)N2CCN(CC2)C(C)=O)S1

InChiKey: RRHONYZEMUNMJX-UHFFFAOYSA-N

InChi: InChI=1S/C31H39N5O4S2/c1-19(2)21(4)32-17-23-7-9-24(10-8-23)29(38)34-31-33-18-28(42-31)41-27-16-25(26(40-6)15-20(27)3)30(39)36-13-11-35(12-14-36)22(5)37/h7-10,15-16,18-19,21,32H,11-14,17H2,1-6H3,(H,33,34,38)

Technical Data

Appearance: Solid Power

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

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: ≥360 days 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. Lin TA, McIntyre KW, Das J, Liu C, O'Day KD, Penhallow B, Hung CY, Whitney GS, Shuster DJ, Yang X, Townsend R, Postelnek J, Spergel SH, Lin J, Moquin RV, Furch JA, Kamath AV, Zhang H, Marathe PH, Perez-Villar JJ, Doweyko A, Killar L, Dodd JH, Barrish JC, Wityak J, Kanner SB. Selective Itk inhibitors block T-cell activation and murine lung inflammation. Biochemistry. 2004 Aug 31;43(34):11056-62.

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