Methylglyoxal - Moligand™, 32% solution , Activator of TRPA1, CAS No.78-98-8, Activator of TRPA1

CAS: 78-98-8 Cat. No.: M109036 Formula: C₃H₄O₂ Peso molecolare: 72.06 Beilstein Registry Number: 906750 Numero EC: 201-164-8

QUALITÀ & PUREZZA Moligand™, 32% solution

Synonyms

Glyoxal, methyl | Pyruvaldehyde (35per cent w/w aqueous) | WLN: VHV1 | 2-keto Propionaldehyde | 2-oxopropanal;2-hydroxyprop-2-enal | 722KLD7415 | A839545 | METHYLGLYOXAL [MI] | Propanolone | acetylformaldehyde | oxopropanal | 2-Oxopropanal | 2-oxo-propana

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifiche

Sinonimi

Glyoxal, methyl | Pyruvaldehyde (35per cent w/w aqueous) | WLN: VHV1 | 2-keto Propionaldehyde | 2-oxopropanal;2-hydroxyprop-2-enal | 722KLD7415 | A839545 | METHYLGLYOXAL [MI] | Propanolone | acetylformaldehyde | oxopropanal | 2-Oxopropanal | 2-oxo-propana

Specifiche e purezza

Moligand™, 32% solution

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

ACTIVATOR

Meccanismo d'azione

Activator of TRPA1

Nomi e identificatori

Pubchem Sid

508811717

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508811717

Sorrisi canonici

CC(=O)C=O

IUPAC Name

2-oxopropanal

InChIKey

AIJULSRZWUXGPQ-UHFFFAOYSA-N

INCHI

1S/C3H4O2/c1-3(5)2-4/h2H,1H3

Isomeri SMILES

CC(=O)C=O

WGK Germania

3

Numero UN

1993

Gruppo di imballaggio

I

Peso molecolare

72.06

Beilstein

906750

Reaxy-Rn

906750

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=906750&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Alpha ketoaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Alpha ketoaldehydes
• Alternative Parents: Ketones Short-chain aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-ketoaldehyde - Ketone - Organic oxide - Hydrocarbon derivative - Short-chain aldehyde - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alpha ketoaldehydes. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon.
• External Descriptors: a ketoaldehyde

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

Obiettivi associati (umani)

TRPA1 Tclin Transient receptor potential cation channel subfamily A member 1 (0 Activities)

Discover Target: TRPA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

FBP1 Tchem Fructose-1,6-bisphosphatase (1199 Activities)

Discover Target: FBP1

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive.
• Indice di rifrazione: 1.4209
• Punto di ebollizione (°C): 72°C
• Punto di fusione (°C): 25°C
• Peso molecolare: 72.060 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 72.0211 Da
• Monoisotopic Mass: 72.0211 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 55.900
• 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: 1