Compound: pyridoxamine
SMILES: Oc1c(c(cnc1C)CO)CN
InChIKey: NHZMQXZHNVQTQA-UHFFFAOYSA-N
Synonyms: pyridoxamine, 85-87-0, Pyridoxylamine, 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL, 3-Pyridinemethanol, 4-(aminomethyl)-5-hydroxy-6-methyl-, CHEBI:16410, DTXSID6046929, 6466NM3W93, RefChem:177725, DTXCID4026929, 4-(azaniumylmethyl)-5-(hydroxymethyl)-2-methylpyridin-3-olate, 201-640-5, EINECS 201-640-5, MFCD00464815, NCIStruc1_000457, NCIStruc2_000537, Oprea1_400404, CBDivE_013510, 4-(Aminomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinol, NCI21278, NCGC00013273, NCI60_001792, NSC21278, EU-0067145, C00534, PXM, PXL, EN300-6481455, UNII-6466NM3W93, 4-aminomethyl-5-hydroxy-6-methyl-3-pyridinemethanol, nchembio.93-comp3, 4-(aminomethyl)-5-(hydroxymethyl)-2-methyl-pyridin-3-ol, LS-187048, LS-187660, PYRIDOXAMINE [MI], bmse000130, Epitope ID:549268, SCHEMBL30408, PYRIDOXAMINE [WHO-DD], CHEMBL593019, orb1309202, SCHEMBL7001793, BDBM626197, ALBB-005914, HY-B1745, CCG-38056, STK503617, AKOS000264716, DB11673, EBC-616138, GS-3241, NCGC00013273-02, NCGC00096392-01, DB-231724, CS-0013764, NS00014913, EN300-254254, F82068, SR-01000392002, 2-methyl-4-aminomethyl-5-hydroxymethyl-3-Pyridinol, Q2541149, SR-01000392002-1, 3-Pyridinol, 2-methyl-4-aminomethyl-5-hydroxymethyl-, BRD-K96669468-300-01-1, 4-(aminomethyl)-3-hydroxy-2-methyl-5-pyridinemethanol, 4-(aminomethyl)-5-hydroxy-6-methyl-3-Pyridinemethanol, 48DD06CB-7B30-4F04-8D74-6F84BDBF5AA9, 4-(Aminomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinol #, 2-methylpyridin-3-ol-5-(hydroxymethyl)-2-methylpyridin-3-ol, 4-(Aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol dihydrochloride hydrate
Theoretical properties:
molecular_formula: C8H12N2O2
molecular_weight: 168.19 g/mol
exact_mass: 168.089877630 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 2
heavy_atom_count: 12
topological_polar_surface_area: 79.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: 815 mg/mL
Descriptions:
pubchem: Pyridoxamine is a monohydroxypyridine that is pyridine substituted by a hydroxy group at position 3, an aminomethyl group at position 4, a hydroxymethyl group at position 5 and a methyl group at position 2. The 4-aminomethyl form of vitamin B6, it is used (in the form of the hydrochloride salt) for treatment of diabetic nephropathy. It has a role as an iron chelator, a mouse metabolite, a Saccharomyces cerevisiae metabolite, a nephroprotective agent, a plant metabolite, an Escherichia coli metabolite and a human metabolite. It is a vitamin B6, a monohydroxypyridine, a hydroxymethylpyridine and an aminoalkylpyridine. It is a conjugate base of a pyridoxaminium(1+).
chebi: A monohydroxypyridine that is pyridine substituted by a hydroxy group at position 3, an aminomethyl group at position 4, a hydroxymethyl group at position 5 and a methyl group at position 2. The 4-aminomethyl form of vitamin B<small><sub>6</sub></small>, it is used (in the form of the hydrochloride salt) for treatment of diabetic nephropathy.
chembl: PYRIDOXAMINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Pyridoxamine (PM) is one form of vitamin B6. Chemically it is based on a pyridine ring structure, with hydroxyl, methyl, aminomethyl, and hydroxymethyl substituents. It differs from pyridoxine by the substituent at the 4-position. The hydroxyl at position 3 and aminomethyl group at position 4 of its ring endow pyridoxamine with a variety of chemical properties, including the scavenging of free radical species and carbonyl species formed in sugar and lipid degradation and chelation of metal ions that catalyze Amadori reactions.