4-Pyridoxolactone - CAS 4753-19-9
Catalog: |
BB057908 |
Product Name: |
4-Pyridoxolactone |
CAS: |
4753-19-9 |
Synonyms: |
4-Pyridoxic Acid Lactone; β-Pyracin; β-Pyracine; 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic Acid γ-Lactone; 3-Hydroxy-5-(hydroxymethyl)-2-methyl-isonicotinic Acid γ-Lactone; 7-Hydroxy-6-methyl-furo[3,4-c]pyridin-1(3H)-one |
IUPAC Name: | 7-hydroxy-6-methyl-3H-furo[3,4-c]pyridin-1-one |
Description: | 4-Pyridoxolactone is an intermediate in synthesizing Vitamin B6 Oxo-4-(N-butanoic Acid)-N-hydroxysuccinimide (V675635), which is a vitamin B6 related compound (P991735), and also a derivative compound of Vitamin B6 4-(N-Butanoic Acid)-N-hydroxysuccinimide (V675630). Vitamin B6 4-(N-Butanoic Acid)-N-hydroxysuccinimide (V675630) is a useful synthetic intermediate and a related compound of thiamine (T344185).┬аThiamine or vitamin B1 is an essential nutrient required for carbohydrate metabolism and it is also involved in nerve function. |
Molecular Weight: | 165.15 |
Molecular Formula: | C8H7NO3 |
Canonical SMILES: | CC1=NC=C2COC(=O)C2=C1O |
InChI: | InChI=1S/C8H7NO3/c1-4-7(10)6-5(2-9-4)3-12-8(6)11/h2,10H,3H2,1H3 |
InChI Key: | HHPDVQLBYQFYFA-UHFFFAOYSA-N |
Melting Point: | >226ºC (dec.) |
Solubility: | Aqueous Base (Slightly), DMSO (Slightly, Heated), Methanol (Very Slightly, Heate |
Appearance: | Pale Beige to Light Beige Solid |
Storage: | 4°C, Inert atmosphere |
References: | Kawaski, T., et al. Methods Enzymol., 122, 15 (1986); Mascher, H., et al. J. Pharm. Sci., 82, 56 (1993). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2011078357-A | Method for fractional determination of vitamin B6 and kit for fractional determination of vitamin B6 | 20091007 |
EP-2230312-A1 | Probe compound for detecting and isolating enzymes and means and methods using the same | 20090319 |
ES-2449581-T3 | Probe compound to detect and isolate enzymes, and means and methods to use it | 20090319 |
US-2007249562-A1 | Treatment of atrial fibrillation | 20060425 |
WO-2007121588-A1 | Treatment of atrial fibrillation | 20060425 |
JP-2006238808-A | Novel pyridoxal 4-dehydrogenase and use thereof | 20050304 |
JP-4752026-B2 | Novel pyridoxal 4-dehydrogenase and use thereof | 20050304 |
US-2008311099-A1 | Pyridoxal-5-Phosphate and Related Compounds in Combination With Therapeutic Cardiovascular Compounds for Treating Angina | 20040924 |
EP-1608379-A1 | Compositions for treating angina | 20030327 |
EP-1610783-A2 | Modulation of cell death | 20030327 |
PMID | Publication Date | Title | Journal |
22481897 | 20120101 | All-enzymatic HPLC method for determination of individual and total contents of vitamin B(6) in foods | Food & nutrition research |
21307574 | 20110101 | The crystal structure of SDR-type pyridoxal 4-dehydrogenase of Mesorhizobium loti | Bioscience, biotechnology, and biochemistry |
20651455 | 20100101 | Development of simultaneous enzymatic assay method for all six individual vitamin B6 forms and pyridoxine-beta-glucoside | Journal of nutritional science and vitaminology |
19111641 | 20081101 | Synthesis of 4-pyridoxolactone from pyridoxine using a combination of transformed Escherichia coli cells | Journal of bioscience and bioengineering |
18388403 | 20080201 | Determination of individual vitamin B(6) compounds based on enzymatic conversion to 4-pyridoxolactone | Journal of nutritional science and vitaminology |
15502327 | 20041101 | Crystallization and preliminary X-ray analysis of pyridoxal 4-dehydrogenase, the second enzyme in degradation pathway I of pyridoxine | Acta crystallographica. Section D, Biological crystallography |
15226311 | 20040903 | Molecular cloning, expression, and properties of an unusual aldo-keto reductase family enzyme, pyridoxal 4-dehydrogenase, that catalyzes irreversible oxidation of pyridoxal | The Journal of biological chemistry |
3771566 | 19861115 | Enzymes of vitamin B6 degradation. Purification and properties of 5-pyridoxic-acid oxygenase from Arthrobacter sp | The Journal of biological chemistry |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.042593085 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 59.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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