Xanthopterin Hydrate - ≥98% , CAS No.5979-01-1

CAS: 5979-01-1 Cat. No.: X162987 Molecular Weight: 179.14(anhy) Beilstein Registry Number: 26(2)313 EC Number: 611-886-9 PubChem CID: 135465063

GRADE & PURITY ≥98%

Synonyms

AKOS024318883 | 2-Aminopteridine-4,6(3H,5H)-dione hydrate | s5677 | 2-aminopteridine-4,6(1H,5H)-dione hydrate | xanthopterin hydrate | 4-Hydroxy-2-imino-1,5-dihydropteridin-6(2H)-one--water (1/1) | 2-amino-3,5-dihydropteridine-4,6-dione;hydrate | T72679 |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Xanthopterin hydrate, an unconjugated pteridine compound, is the main component of the yellow granule in the Oriental hornet bear wings, produces a characteristic excitation/emission maximum at 386/456 nm[2]. Xanthopterin hydrate(XPT) causes renal growth and hypertrophy in rat[1]. Xanthopterin hydrate inhibits RNA synthesis.

Specifications

Synonyms

AKOS024318883 | 2-Aminopteridine-4, 6(3H, 5H)-dione hydrate | s5677 | 2-aminopteridine-4, 6(1H, 5H)-dione hydrate | xanthopterin hydrate | 4-Hydroxy-2-imino-1, 5-dihydropteridin-6(2H)-one--water (1/1) | 2-amino-3, 5-dihydropteridine-4, 6-dione;hydrate | T72679 |

Specifications & Purity

≥98%

Storage

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%

Names and Identifiers

• Canonical Smiles: C1=NC2=C(C(=O)NC(=N2)N)NC1=O.O
• IUPAC Name: 2-amino-3,5-dihydropteridine-4,6-dione;hydrate
• InChIKey: GXYCFNCAIXIUMR-UHFFFAOYSA-N
• INCHI: 1S/C6H5N5O2.H2O/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4;/h1H,(H,9,12)(H3,7,8,10,11,13);1H2
• Isomeric SMILES: C1=NC2=C(C(=O)NC(=N2)N)NC1=O.O
• PubChem CID: 135465063
• Molecular Weight: 179.14(anhy)
• Beilstein: 26(2)313
• Reaxy-Rn: 192522

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: Pterins and derivatives
• Alternative Parents: Pyrimidones Aminopyrimidines and derivatives Pyrazines Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pterin - Aminopyrimidine - Pyrimidone - Pyrazine - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Lactam - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: 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: 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

Chemical and Physical Properties

• Sensitivity: air sensitive
• Molecular Weight: 197.150 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 197.055 Da
• Monoisotopic Mass: 197.055 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 392.000
• 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: 2

XLogP3