Methyl 4-acetamidosalicylate - ≥98% , CAS No.4093-28-1

CAS: 4093-28-1 Cat. No.: M193300 Peso molecular: 209.2 Número EC: 223-838-0

GRADE & PURITY ≥98%

Synonyms

Azidothymidine triphosphate | methyl 4-acetamido-2-hydroxybenzoate | 2R-0677 | 3,5-Dioxa-9-aza-4-phosphaheptacosan-1-aminium, 7-ethoxy-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, hydrate (9CI) | FT-0671419 | Oprea1_190339 | F14190 | SY032193 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Azidothymidine triphosphate | methyl 4-acetamido-2-hydroxybenzoate | 2R-0677 | 3, 5-Dioxa-9-aza-4-phosphaheptacosan-1-aminium, 7-ethoxy-4-hydroxy-N, N, N-trimethyl-10-oxo-, inner salt, 4-oxide, hydrate (9CI) | FT-0671419 | Oprea1_190339 | F14190 | SY032193 |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504755205
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755205
• Sonrisas canónicas: CC(=O)NC1=CC(=C(C=C1)C(=O)OC)O
• IUPAC Name: methyl 4-acetamido-2-hydroxybenzoate
• InChIKey: LCXHOHRQXZMSQN-UHFFFAOYSA-N
• INCHI: 1S/C10H11NO4/c1-6(12)11-7-3-4-8(9(13)5-7)10(14)15-2/h3-5,13H,1-2H3,(H,11,12)
• Isómeros SMILES: CC(=O)NC1=CC(=C(C=C1)C(=O)OC)O
• Peso molecular: 209.2
• Reaxy-Rn: 2373224
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2373224&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acylaminobenzoic acid and derivatives
• Alternative Parents: o-Hydroxybenzoic acid esters Acetanilides Salicylic acid and derivatives N-acetylarylamines Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Methyl esters Vinylogous acids Acetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acylaminobenzoic acid or derivatives - O-hydroxybenzoic acid ester - Acetanilide - Benzoate ester - Salicylic acid or derivatives - Anilide - N-acetylarylamine - Benzoyl - N-arylamide - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Acetamide - Vinylogous acid - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
• 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)

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

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

Objetivos asociados (no humanos)

NA Neuraminidase (1107 Activities)

Discover Target: NA

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 209.200 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 209.069 Da
• Monoisotopic Mass: 209.069 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 254.000
• 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