Btk inhibitor 2

• CAT Number: I012959
• CAS Number: 1558036-85-3
• Molecular Formula: C24H25N5O3
• Molecular Weight: 431.49
• Purity: ≥95%
• Synonyms: 5-amino-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
• InChI: InChI=1S/C24H25N5O3/c1-2-20(30)28-14-6-7-17(15-28)29-23(25)21(24(26)31)22(27-29)16-10-12-19(13-11-16)32-18-8-4-3-5-9-18/h2-5,8-13,17H,1,6-7,14-15,25H2,(H2,26,31)/t17-/m1/s1
• InChIKey: WTLRSSATGYETCG-QGZVFWFLSA-N
• SMILES: C=CC(=O)N1CCCC(C1)N2C(=C(C(=N2)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N)N

Btk inhibitor 2 (BGB-3111 analog) is a Bruton’s tyrosine kinase (BTK) inhibitor extracted from patent US 20170224688 A1.

Reference

[1]. Cecile M. Krejsa. Methods of Using BTK Inhibitors to Treat Dermatoses. US 20170224688 A1.