Pyridoxal hydrochloride - ≥99% , CAS No.65-22-5

CAS: 65-22-5 Cat. No.: P111170 Molecular Weight: 203.62 Beilstein Registry Number: 3656994 EC Number: 200-602-5

GRADE & PURITY ≥99%

Synonyms

3-Hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde hydrochloride | P0559 | 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride | 3-Hydroxy-5-(hydroxymethyl)-2-methyl-isonicotinaldehyde hydrochloride | 3-Hydroxy-5-(hydroxymethyl)-2-methy

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Pyridoxal hydrochloride is used in labeling of amino acids for their detection. It finds application in neurotransmitters, sphingolipids and aminolevulinic acid. It is also used as a nutritional agent. It is also applied in research studies like biochemical, drugs and in media supplements.

Specifications

Synonyms

3-Hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde hydrochloride | P0559 | 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride | 3-Hydroxy-5-(hydroxymethyl)-2-methyl-isonicotinaldehyde hydrochloride | 3-Hydroxy-5-(hydroxymethyl)-2-methy

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Pyridoxal hydrochloride interacts with cysteine of cathepsins and inhibits their activity. It elicits protective function in cornu Ammonis (CA) 1 neurons during ischemia.Pyridoxal hydrochloride is an endogenous metabolite.

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1=NC=C(C(=C1O)C=O)CO.Cl
• IUPAC Name: 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride
• InChIKey: FCHXJFJNDJXENQ-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,4,10,12H,3H2,1H3;1H
• Isomeric SMILES: CC1=NC=C(C(=C1O)C=O)CO.Cl
• WGK Germany: 2
• RTECS: UV1225000
• Molecular Weight: 203.62
• Beilstein: 3656994
• Reaxy-Rn: 3656994
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3656994&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridine carboxaldehydes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridine carboxaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridoxals and derivatives
• Alternative Parents: Methylpyridines Hydroxypyridines Aryl-aldehydes Vinylogous acids Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridoxal - Aryl-aldehyde - Methylpyridine - Hydroxypyridine - Vinylogous acid - Heteroaromatic compound - Azacycle - Alcohol - Hydrocarbon derivative - Organic oxide - Hydrochloride - Organopnictogen compound - Organic oxygen compound - Aromatic alcohol - Organic nitrogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Aldehyde - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridoxals and derivatives. These are compounds containing a pyridoxal moiety, which consists of a pyridine ring substituted at positions 2,3,4, and 5 by a methyl group, a hydroxyl group, a carbaldehyde group, and a hydroxymethyl group, respectively.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CAD Tchem Dihydroorotase (27 Activities)

Discover Target: CAD

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TRIM33 Tchem E3 ubiquitin-protein ligase TRIM33 (162 Activities)

Discover Target: TRIM33

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)

Discover Target: TRIM24

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Air Sensitive；Hygroscopic
• Melt Point(°C): 172°C
• Molecular Weight: 203.620 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 203.035 Da
• Monoisotopic Mass: 203.035 Da
• Topological Polar Surface Area: 70.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 162.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Deng Hao-Hua, Yang Hui-Jing, Huang Kai-Yuan, Zheng Yi-Jing, Xu Ying-Ying, Peng Hua-Ping, Liu Yin-Huan, Chen Wei, Hong Guo-Lin.  (2022)  Antenna effect of pyridoxal phosphate on the fluorescence of mitoxantrone-silicon nanoparticles and its application in alkaline phosphatase assay.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  414  (17): (4877-4884).  [PMID:35576012] [10.1007/s00216-022-04110-7]

2. Hao-Hua Deng, Kai-Yuan Huang, Quan-Hui Fang, Ya-Ping Lv, Shao-Bin He, Hua-Ping Peng, Xing-Hua Xia, Wei Chen.  (2020)  Schiff base and Lewis acid-base interaction-regulated aggregation/dispersion of gold nanoparticles for colorimetric recognition of rare-earth Sc3+ ions.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2020.127925]

3. Q. Huang, Y. T. Chen, Y. W. Ren, Z. Y. Wang, Y. X. Zhu, Y. Zhang.  (2018)  A rapid and naked-eye visible rhodamine 6G-based chemosensor for sensitive detection of copper(II) ions in aqueous solution.  Analytical Methods,  10  (47): (5731-5737).  [PMID:] [10.1039/C8AY02019A]

4. Su Yao, Gongke Li, Yanqing Liu, Shoulian Wei, Hongwu Wang, Xiqing Huang, Zetao Luo.  (2018)  Electrochemical detection of pyridoxal using a sonoelectrochemical prepared highly-oxidized carbon nanosheets modified electrode.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2018.07.106]

5. Qi Huang, Qingyou Zhang, Enze Wang, Yanmei Zhou, Han Qiao, Lanfang Pang, Fang Yu.  (2015)  A new “off–on” fluorescent probe for Al3+ in aqueous solution based on rhodamine B and its application to bioimaging.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:26196932] [10.1016/j.saa.2015.07.062]

6. Jinnian Wang, Haoming Zhao, Shijun Tong, Xingjian Zhang, Shuyu Ding, Han Zhang, Zhong-Hua Yang.  (2026)  Cascade biocatalysis for pyridoxal 5′-phosphate synthesis with ATP autonomy via polyphosphate kinase.  BIOORGANIC CHEMISTRY,      [PMID:41564697] [10.1016/j.bioorg.2026.109518]