Pteroic Acid - Moligand™,≥93% , CAS No.119-24-4

CAS: 119-24-4 Cat. No.: P136081 Peso molecular: 312.28 Número EC: 601-589-2 PubChem CID: 135398749

GRADE & PURITY Moligand™, ≥93%

Synonyms

MFCD00075823 | 22d | Agmatine sulfate salt, >=97%, powder | SR-01000883746 | 8258W48TBZ | FT-0674151 | DTXSID40152279 | NSC14972 | NSC-14972 | Pteroic Acid (>85per cent) | BDBM6645 | FOLIC ACID HYDRATE IMPURITY D [EP IMPURITY] | 4-[[(2-amino-4-oxo-1,4 dih

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

application：

Pteroic Acid (Methotrexate EP Impurity D N-Desmethyl Impurity) is a constituent as well as a degradation product of Folic Acid (F680300) formed via enzymatic hydrolysis. has been shown to activate the glutamylation of methotrexate by folylpolyglutamate synthetase.

Specifications

Sinónimos

MFCD00075823 | 22d | Agmatine sulfate salt, >=97%, powder | SR-01000883746 | 8258W48TBZ | FT-0674151 | DTXSID40152279 | NSC14972 | NSC-14972 | Pteroic Acid (>85per cent) | BDBM6645 | FOLIC ACID HYDRATE IMPURITY D [EP IMPURITY] | 4-[[(2-amino-4-oxo-1, 4 dih

Especificaciones y pureza

Moligand™, ≥93%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Grado

Moligand™

Pureza

≥93%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N
• IUPAC Name: 4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoic acid
• InChIKey: JOAQINSXLLMRCV-UHFFFAOYSA-N
• INCHI: 1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)
• Isómeros SMILES: C1=CC(=CC=C1C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N
• WGK Alemania: 3
• PubChem CID: 135398749
• Peso molecular: 312.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pteridines and derivatives
      • Subclass Pterins and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pteridines and derivatives
• Subclass: Pterins and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pterins and derivatives
• Alternative Parents: Aminobenzoic acids Benzoic acids Phenylalkylamines Aniline and substituted anilines Benzoyl derivatives Secondary alkylarylamines Pyrimidones Aminopyrimidines and derivatives Pyrazines Vinylogous amides Heteroaromatic compounds Amino acids Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Primary amines Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pterin - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Aminopyrimidine - Pyrimidone - Aralkylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyrazine - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Amino acid - Amino acid or derivatives - Azacycle - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Amine - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.
• External Descriptors: pteroic acid

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 (no humanos)

Enterococcus faecalis (29875 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

• Solubilidad: Soluble in 0.5 M NaOH (50 mg/ml).
• Sensibilidad: light & Moisture & Air sensitive
• Punto de fusión (°C): >300°C (dec.)
• Peso molecular: 312.280 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 312.097 Da
• Monoisotopic Mass: 312.097 Da
• Topological Polar Surface Area: 143.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 503.000
• 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