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

CAS: 948-60-7 Cat. No.: P330569 Molecular Weight: 207.15 Beilstein Registry Number: 227689 EC Number: 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

Overview

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

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

Specifications & Purity

≥98%

Storage

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

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Product Properties

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

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: C1=C(N=C2C(=O)NC(=NC2=N1)N)C(=O)O
• WGK Germany: 3
• PubChem CID: 135403803
• Molecular Weight: 207.15
• Beilstein: 227689

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

folP Dihydropteroate synthase (129 Activities)

Discover Target: folP

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Aqueous Acid (Very Slightly), Aqueous Base (Very Slightly, Heated)
• Sensitivity: Moisture sensitive；Light sensitive
• Refractive Index: n20D1.95 (Predicted)
• Boil Point(°C): ~624.8° C at 760 mmHg (Predicted)
• Melt Point(°C): 217.69° C (Predicted)
• Molecular Weight: 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