ácido 6-metilpiridina-2-carboxílico - ≥98% , CAS No.934-60-1

CAS: 934-60-1 Cat. No.: M120707 Peso molecular: 137.14 Número EC: 213-287-4

GRADE & PURITY ≥98%

Synonyms

6-methyl-2-picolinic acid | EINECS 213-287-4 | AO-801/41077373 | EN300-28863 | BBL023748 | FG-0452 | FT-0633141 | KB675Y352L | AKOS005255224 | MFCD00023481 | 6-methyl-2-pyridylcarboxylic acid | GS6207 | 6-Methyl-2-pyridinecarboxylic acid | STL362881 | W-1

Storage

Room temperature

Shipped In

Normal

Descripción general

Suele utilizarse como reactivo para la síntesis de inhibidores de la 11β-hidroxiesteroide deshidrogenasa humana, como organocatalizador de base de Lewis para reacciones de hidrosilación estereoselectiva y para estudios biológicos de complejos potenciadores de la insulina.

el ácido 6-metilpiridina-2-carboxílico (2-carboxi-6-metilpiridina, ácido 6-metilpicolínico) es un bloque de construcción heterocíclico.

Specifications

Sinónimos

6-methyl-2-picolinic acid | EINECS 213-287-4 | AO-801/41077373 | EN300-28863 | BBL023748 | FG-0452 | FT-0633141 | KB675Y352L | AKOS005255224 | MFCD00023481 | 6-methyl-2-pyridylcarboxylic acid | GS6207 | 6-Methyl-2-pyridinecarboxylic acid | STL362881 | W-1

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488184511
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184511
• Sonrisas canónicas: CC1=NC(=CC=C1)C(=O)O
• IUPAC Name: 6-methylpyridine-2-carboxylic acid
• InChIKey: LTUUGSGSUZRPRV-UHFFFAOYSA-N
• INCHI: 1S/C7H7NO2/c1-5-3-2-4-6(8-5)7(9)10/h2-4H,1H3,(H,9,10)
• Isómeros SMILES: CC1=NC(=CC=C1)C(=O)O
• WGK Alemania: 3
• Peso molecular: 137.14
• Reaxy-Rn: 112270
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112270&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Methylpyridines Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Methylpyridine - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
• 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

Objetivos asociados (humanos)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

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

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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

MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

Discover Target: MMP3

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

MMP8 Tchem Matrix metalloproteinase 8 (1942 Activities)

Discover Target: MMP8

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

MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)

Discover Target: MMP1

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

Objetivos asociados (no humanos)

Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

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

Mmp2 Matrix metalloproteinase-2 (12 Activities)

Discover Target: Mmp2

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

Mmp9 Matrix metalloproteinase 9 (38 Activities)

Discover Target: Mmp9

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water; Soluble in Methanol
• Punto de ebullición (°C): 100°C/4.5mmHg
• Punto de fusión (°C): 120-127°C
• Peso molecular: 137.140 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 137.048 Da
• Monoisotopic Mass: 137.048 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 136.000
• 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: 1