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

CAS: 78-98-8 Cat. No.: M109036 Summenformel: C₃H₄O₂ Molekulargewicht: 72.06 Beilstein Registry Number: 906750 EG-Nummer: 201-164-8

QUALITÄT & REINHEIT 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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

Moligand™, 32% solution

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

ACTIVATOR

Mechanismus der Wirkung

Activator of TRPA1

Namen und Kennungen

Pubchem Sid

508811717

Pubchem Sid Url

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

Kanonisches Lächeln

CC(=O)C=O

IUPAC Name

2-oxopropanal

InChIKey

AIJULSRZWUXGPQ-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

CC(=O)C=O

WGK Deutschland

3

UN-Nummer

1993

Verpackungsgruppe

I

Molekulargewicht

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
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Aldehydes
          • Ebene6 Alpha ketoaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive.
• Brechungsindex: 1.4209
• Siedepunkt (°C): 72°C
• Schmelzpunkt (°C): 25°C
• Molekulargewicht: 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