Allosamidin
[CAS# 103782-08-7]

Identification

• Name: Allosamidin
• Synonyms: N-[(2R,3R,4S,5S,6R)-2-[[(3Ar,4R,5R,6S,6As)-2-Dimethylamino-4-Hydroxy-6-(Hydroxymethyl)-4,5,6,6A-Tetrahydro-3Ah-Cyclopenta[D]Oxazol-5-Yl]Oxy]-5-[(2S,3R,4S,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-6-(Hydroxymethyl)Tetrahydropyran-3-Yl]Acetamide; N-[(2R,3R,4S,5S,6R)-2-[[(3Ar,4R,5R,6S,6As)-2-Dimethylamino-4-Hydroxy-6-(Hydroxymethyl)-4,5,6,6A-Tetrahydro-3Ah-Cyclopenta[D]Oxazol-5-Yl]Oxy]-5-[[(2S,3R,4S,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4-Hydroxy-6-(Hydroxymethyl)-3-Tetrahydropyranyl]Acetamide; N-[(2R,3R,4S,5S,6R)-2-[[(3Ar,4R,5R,6S,6As)-2-Dimethylamino-4-Hydroxy-6-Methylol-4,5,6,6A-Tetrahydro-3Ah-Cyclopenta[D]Oxazol-5-Yl]Oxy]-5-[(2S,3R,4S,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-6-Methylol-Tetrahydropyran-3-Yl]Acetamide
• Molecular Formula: C₂₅H₄₂N₄O₁₄
• Molecular Weight: 622.63
• CAS Registry Number: 103782-08-7
• SMILES: [C@@H]14OC(=N[C@@H]1[C@@H](O)[C@H](O[C@@H]3O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H](O)[C@H]2NC(=O)C)CO)[C@@H](O)[C@H]3NC(=O)C)CO)[C@H]4CO)N(C)C
• InChI: 1S/C25H42N4O14/c1-8(33)26-14-17(36)16(35)11(6-31)39-23(14)42-22-12(7-32)40-24(15(19(22)38)27-9(2)34)41-21-10(5-30)20-13(18(21)37)28-25(43-20)29(3)4/h10-24,30-32,35-38H,5-7H2,1-4H3,(H,26,33)(H,27,34)/t10-,11+,12+,13+,14+,15+,16+,17-,18+,19-,20-,21+,22+,23-,24-/m0/s1
• InChIKey: MDWNFWDBQGOKNZ-XYUDZHFQSA-N

Properties

• Density: 1.782g/cm³ (Cal.)

References

• (1): Yuzwa et al.. A potent mechanism-inspired O-GlcNAcase inhibitor that blocks phosphorylation of Tau in vivo, Nature Chemical Biology, 2008