2-[[4-[(2-Amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid
[CAS# 32108-06-8]

Identification

• Name: 2-[[4-[(2-Amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid
• Synonyms: 2-[[[4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; 2-[[4-[(2-Amino-4-Keto-1H-Pteridin-6-Yl)Methylamino]Benzoyl]Amino]Glutaric Acid; 2-[[4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methylamino]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₁₉H₁₉N₇O₆
• Molecular Weight: 441.40
• CAS Registry Number: 32108-06-8
• SMILES: C1=NC3=C(N=C1CNC2=CC=C(C(NC(CCC(O)=O)C(O)=O)=O)C=C2)C(N=C(N3)N)=O
• InChI: 1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)
• InChIKey: OVBPIULPVIDEAO-UHFFFAOYSA-N

Properties

• Density: 1.689g/cm³ (Cal.)
• Melting point: 250°C (Expl.)

References

• (1): Mark Lucock, Xiaowei Ng, Lyndell Boyd, Virginia Skinner, Ron Wai, Sa Tang, Charlotte Naylor, Zoë Yates, Jeong-Hwa Choi, Paul Roach and Martin Veysey. TAS2R38 bitter taste genetics, dietary vitamin C, and both natural and synthetic dietary folic acid predict folate status, a key micronutrient in the pathoaetiology of adenomatous polyps, Food Funct., 2011, 2, 457.