Pterine-6-carboxylic acid - ≥98% , CAS No.948-60-7

CAS: 948-60-7 Cat. No.: P330569 Peso molecular: 207.15 Beilstein Registry Number: 227689 Número EC: 213-435-8 PubChem CID: 135403803

GRADE & PURITY ≥98%

Synonyms

6-Pteridinecarboxylic acid, 2-amino-1,4-dihydro-4-oxo- | HHS | 2,3,7,8-tetrahydroxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione | KBio2_003290 | NSC 96893 | 2-amino-4-oxo-3,4-dihydropteridine-6-carboxylic acid | 2-amino-4-oxo-3,4-dihydropteridine-6-c

Storage

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

Shipped In

Ice chest + Ice pads

Descripción general

Pterine-6-carboxylic acid (6-Carboxypterin) is a photodegradation product of folic acid, which can be used as a photosensitive agent to study the molecular mechanism of UVA breaking DNA structure.

Application：

Pterine-6-carboxylic Acid is a degradation product of Folic acid.

Specifications

Sinónimos

6-Pteridinecarboxylic acid, 2-amino-1, 4-dihydro-4-oxo- | HHS | 2, 3, 7, 8-tetrahydroxy[1]benzopyrano[5, 4, 3-cde][1]benzopyran-5, 10-dione | KBio2_003290 | NSC 96893 | 2-amino-4-oxo-3, 4-dihydropteridine-6-carboxylic acid | 2-amino-4-oxo-3, 4-dihydropteridine-6-c

Especificaciones y pureza

≥98%

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.

Pureza

≥98%

Propiedades del producto

• pKa: pKₐ: 2.82 (Predicted), pKₐ: 0.91 (Predicted)

Nombres e identificadores

• Sonrisas canónicas: C1=C(N=C2C(=O)NC(=NC2=N1)N)C(=O)O
• IUPAC Name: 2-amino-4-oxo-3H-pteridine-6-carboxylic acid
• InChIKey: QABAUCFGPWONOG-UHFFFAOYSA-N
• INCHI: 1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h1H,(H,14,15)(H3,8,9,11,12,13)
• Isómeros SMILES: C1=C(N=C2C(=O)NC(=NC2=N1)N)C(=O)O
• WGK Alemania: 3
• PubChem CID: 135403803
• Peso molecular: 207.15
• Beilstein: 227689

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: Pterin carboxylates
• Alternative Parents: Pyrazine carboxylic acids Hydroxypyrimidines Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pterin-6-carboxylate - Pyrazine carboxylic acid - Pyrazine carboxylic acid or derivatives - Hydroxypyrimidine - Pyrimidine - Pyrazine - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pterin carboxylates. These are heterocyclic aromatic compounds containing a pterin moiety, in which one ring is substituted by one or more carboxylic acid groups. Pterin is a heterocyclic compound composed of a pteridine ring system (made up of a pyrazine fused to a pyrimidine), with a keto group and an amino group at the 2- and 4- positions, respectively.
• 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)

AKR1B1 Tclin Aldose reductase (1404 Activities)

Discover Target: AKR1B1

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

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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

Objetivos asociados (no humanos)

folP Dihydropteroate synthase (129 Activities)

Discover Target: folP

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Aqueous Acid (Very Slightly), Aqueous Base (Very Slightly, Heated)
• Sensibilidad: Moisture sensitive；Light sensitive
• Índice de refracción: n20D1.95 (Predicted)
• Punto de ebullición (°C): ~624.8° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 217.69° C (Predicted)
• Peso molecular: 207.150 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 207.039 Da
• Monoisotopic Mass: 207.039 Da
• Topological Polar Surface Area: 131.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 342.000
• 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