1-(2-Deoxy-beta-D-Erythro-Pentofuranosyl)-1H-Imidazo[4,5-c]Pyridin-4-Amine
[CAS# 78582-17-9]

Identification

• Name: 1-(2-Deoxy-beta-D-Erythro-Pentofuranosyl)-1H-Imidazo[4,5-c]Pyridin-4-Amine
• Synonyms: (2R,3S,5R)-5-(4-Aminoimidazo[4,5-C]Pyridin-1-Yl)-2-(Hydroxymethyl)Tetrahydrofuran-3-Ol; (2R,3S,5R)-5-(4-Amino-1-Imidazo[4,5-C]Pyridinyl)-2-(Hydroxymethyl)-3-Tetrahydrofuranol; (2R,3S,5R)-5-(4-Aminoimidazo[4,5-C]Pyridin-1-Yl)-2-Methylol-Tetrahydrofuran-3-Ol
• Molecular Formula: C₁₁H₁₄N₄O₃
• Molecular Weight: 250.26
• CAS Registry Number: 78582-17-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O)C1)CO)[N]2C3=C(N=C2)C(=NC=C3)N
• InChI: 1S/C11H14N4O3/c12-11-10-6(1-2-13-11)15(5-14-10)9-3-7(17)8(4-16)18-9/h1-2,5,7-9,16-17H,3-4H2,(H2,12,13)/t7-,8+,9+/m0/s1
• InChIKey: KMQPIRJQPAVGJL-DJLDLDEBSA-N

Properties

• Density: 1.759g/cm³ (Cal.)
• Boiling point: 617.74°C at 760 mmHg (Cal.)
• Flash point: 327.398°C (Cal.)

References

• (1): Livingston et al.. Unnatural substrates reveal the importance of 8-oxoguanine for in vivo mismatch repair by MutY, Nature Chemical Biology, 2007