Methyl 2-amino-4，5-dimethoxybenzoate - ≥98%(GC) , CAS No.26759-46-6

CAS: 26759-46-6 Cat. No.: M136519 Peso molecular: 211.22 Beilstein Registry Number: 14(1)680 Número EC: 247-967-7

GRADE & PURITY ≥98%(GC)

Synonyms

NCGC00020523-02 | 2-Amino-4,5-dimethoxybenzoic Acid Methyl Ester | 2-amino-4,5-dimethoxy-benzoic acid methyl ester | 4,5-dimethoxyanthranilic acid methyl | Methyl 6-aminoveratrate | Oprea1_336521 | SCHEMBL372600 | 5-methyl-2,5-diazatetracyclo[13.4.0.02,7.

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

NCGC00020523-02 | 2-Amino-4, 5-dimethoxybenzoic Acid Methyl Ester | 2-amino-4, 5-dimethoxy-benzoic acid methyl ester | 4, 5-dimethoxyanthranilic acid methyl | Methyl 6-aminoveratrate | Oprea1_336521 | SCHEMBL372600 | 5-methyl-2, 5-diazatetracyclo[13.4.0.02, 7.

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488190717
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190717
• Sonrisas canónicas: COC1=C(C=C(C(=C1)C(=O)OC)N)OC
• IUPAC Name: methyl 2-amino-4,5-dimethoxybenzoate
• InChIKey: QQFHCCQSCQBKBG-UHFFFAOYSA-N
• INCHI: 1S/C10H13NO4/c1-13-8-4-6(10(12)15-3)7(11)5-9(8)14-2/h4-5H,11H2,1-3H3
• Isómeros SMILES: COC1=C(C=C(C(=C1)C(=O)OC)N)OC
• Peso molecular: 211.22
• Beilstein: 14(1)680
• Reaxy-Rn: 2724754
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2724754&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Methoxybenzoic acids and derivatives
          • Level6 P-methoxybenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Methoxybenzoic acids and derivatives
• Direct Parent: P-methoxybenzoic acids and derivatives
• Alternative Parents: M-methoxybenzoic acids and derivatives Aminobenzoic acids and derivatives Benzoic acid esters Dimethoxybenzenes Aminophenyl ethers Methoxyanilines Anisoles Phenoxy compounds Benzoyl derivatives Alkyl aryl ethers Vinylogous amides Methyl esters Amino acids and derivatives Monocarboxylic acids and derivatives Hydrocarbon derivatives Organopnictogen compounds Primary amines Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Aminobenzoic acid or derivatives - Benzoate ester - Dimethoxybenzene - O-dimethoxybenzene - Aminophenyl ether - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Vinylogous amide - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Organic nitrogen compound - Primary amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy 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)

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de ebullición (°C): 128-133 °C
• Punto de fusión (°C): 129 °C
• Peso molecular: 211.210 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 211.084 Da
• Monoisotopic Mass: 211.084 Da
• Topological Polar Surface Area: 70.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 221.000
• 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