GDC-0834 Racemate

• CAT Number: I000499
• CAS Number: 1133432-46-8
• Molecular Formula: C33H36N6O3S
• Molecular Weight: 596.74
• Purity: ≥95%
• Target: Btk
• Solubility: DMSO: ≥ 49 mg/mL
• Storage: Store at -20°C
• IC50: 5.9 nM/6.4 nM(biochemical/cellular assay) [1]
• IUPAC Name: N-[3-[6-[4-(1,4-dimethyl-3-oxopiperazin-2-yl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
• InChI: InChI=1S/C33H36N6O3S/c1-20-24(9-7-10-25(20)36-31(40)28-18-22-8-5-6-11-27(22)43-28)26-19-39(4)33(42)30(35-26)34-23-14-12-21(13-15-23)29-32(41)38(3)17-16-37(29)2/h7,9-10,12-15,18-19,29H,5-6,8,11,16-17H2,1-4H3,(H,34,35)(H,36,40)
• InChIKey: CDOOFZZILLRUQH-UHFFFAOYSA-N
• SMILES: CC1=C(C=CC=C1NC(=O)C2=CC3=C(S2)CCCC3)C4=CN(C(=O)C(=N4)NC5=CC=C(C=C5)C6C(=O)N(CCN6C)C)C

GDC-0834 Racemate (Cat.No:I000499) is a racemic mixture of GDC-0834, a selective inhibitor of Bruton’s tyrosine kinase (BTK). BTK plays a crucial role in B-cell receptor signaling and is implicated in various B-cell malignancies. GDC-0834 Racemate has shown potential in preclinical studies as a targeted therapy for B-cell-related cancers. Clinical trials are ongoing to evaluate its safety and efficacy.

Reference

[1]. Liu L, et al. Antiarthritis effect of a novel Bruton/’s tyrosine kinase (BTK) inhibitor in rat collagen-induced arthritis and mechanism-based pharmacokinetic/pharmacodynamic modeling: relationships between inhibition of BTK phosphorylation and efficacy. J Pharmacol Exp Ther. 2011 Jul;338(1):154-63.
[2]. Liu L, et al. Significant species difference in amide hydrolysis of GDC-0834, a novel potent and selective Bruton/’s tyrosine kinase inhibitor. Drug Metab Dispos. 2011 Oct;39(10):1840-9.