DprE1-IN-2

• CAT Number: I002059
• CAS Number: 1615713-87-5
• Molecular Formula: C19H24N6O2
• Molecular Weight: 368.40
• Purity: ≥95%
• Synonyms: 1-[[6-(dimethylamino)-5-methyl-4-pyrimidinyl]methyl]-N-(2-hydroxyethyl)-6-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
• Target: Bacterial
• Solubility: DMSO ≥ 33 mg/mL
• Storage: -20°C
• IUPAC Name: 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
• InChI: InChI=1S/C19H24N6O2/c1-12-7-16-17(21-8-12)14(19(27)20-5-6-26)9-25(16)10-15-13(2)18(24(3)4)23-11-22-15/h7-9,11,26H,5-6,10H2,1-4H3,(H,20,27)
• InChIKey: BLNAAWXUNQHVNT-UHFFFAOYSA-N
• SMILES: CC1=CC2=C(C(=CN2CC3=C(C(=NC=N3)N(C)C)C)C(=O)NCCO)N=C1

DprE1-IN-2（Cat No.:I002059）is a potent inhibitor of DprE1 (Decaprenylphosphoryl-β-D-ribose 2′-epimerase), an essential enzyme in mycobacterial cell wall biosynthesis, particularly in Mycobacterium tuberculosis. This small molecule exhibits strong anti-mycobacterial activity by disrupting the formation of arabinogalactan, a critical component of the bacterial cell wall. DprE1-IN-2 selectively targets the enzyme’s active site, preventing its function, and shows promise in overcoming drug-resistant tuberculosis strains. It is being explored in preclinical research for its potential to develop new therapeutic strategies against tuberculosis, particularly multidrug-resistant strains.

Reference

[1]. Shirude PS et al. Lead optimization of 1,4-azaindoles as antimycobacterial agents. J Med Chem. 2014 Jul 10;57(13):5728-37.