(R,S,R)-2-Acetyl-4-(1,2,3,4-tetrahydroxybutyl)-imidazole

CAS: 94944-70-4

Ref. TR-A188490

Product Information

• Name: (R,S,R)-2-Acetyl-4-(1,2,3,4-tetrahydroxybutyl)-imidazole
• Synonyms: 1-[5-[(1R,2S,3R)-1,2,3,4-Tetrahydroxybutyl]-1H-imidazol-2-yl]-ethanone, [1R-(1R*,2S*,3R*)]-1-[4-(1,2,3,4-Tetrahydroxybutyl)-1H-imidazol-2-yl]-ethanone
• Brand: TRC
• Description: Applications (R,S,R)-2-Acetyl-4-(1,2,3,4-tetrahydroxybutyl)-imidazole (THI) inhibits sphinogosine-1-phosphate (S1P) lyase for treatment of autoimmune disorders.References Zhang, H., et al.: Tetrahedron, 69, 4041 (2013); Bagdanoff, J.T., et al.: J. Med. Chem., 53, 8650 (2010); Bagdanoff, J.T., et al.: J. Med. Chem., 52, 3941 (2009)

Chemical properties

• Molecular weight: 230.22
• Formula: C₉H₁₄N₂O₅
• Color/Form: White To Light Brown
• InChI: InChI=1S/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)/t6-,7-,8-/m1/s1
• InChI key: InChIKey=CQSIXFHVGKMLGQ-BWZBUEFSSA-N
• SMILES: CC(=O)c1nc([C@@H](O)[C@H](O)[C@H](O)CO)c[nH]1