Xanthopterin - ≥95% , CAS No.119-44-8

CAS: 119-44-8 Cat. No.: B299803 Summenformel: C₆H₅N₅O₂ Molekulargewicht: 179.14

GRADE & PURITY ≥95%

Synonyms

2-AMINOPTERIDINE-4,6-DIOL | 4,6-Pteridinediol, 2-amino- | AKOS003367976 | Spectrum5_001908 | 2-Amino-4,5-b]pyrazine | KBio2_004337 | Ksantopterin | Spectrum4_001177 | XTN | 2-amino-3,5-dihydro-pteridine-4,6-dione | 2-amino-3,5-dihydropteridine-4,6-dione |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2-AMINOPTERIDINE-4,6-DIOL | 4,6-Pteridinediol, 2-amino- | AKOS003367976 | Spectrum5_001908 | 2-Amino-4,5-b]pyrazine | KBio2_004337 | Ksantopterin | Spectrum4_001177 | XTN | 2-amino-3,5-dihydro-pteridine-4,6-dione | 2-amino-3,5-dihydropteridine-4,6-dione |

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: C1=NC2=C(C(=O)NC(=N2)N)NC1=O
• IUPAC Name: 2-amino-3,5-dihydropteridine-4,6-dione
• InChIKey: VURKRJGMSKJIQX-UHFFFAOYSA-N
• INCHI: 1S/C6H5N5O2/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)
• Isomere SMILES: C1=NC2=C(C(=O)NC(=N2)N)NC1=O
• Molekulargewicht: 179.14
• Reaxy-Rn: 192522
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=192522&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 179.140 g/mol
• XLogP3: -2.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 179.044 Da
• Monoisotopic Mass: 179.044 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 13
• 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: 1

Referenzen

1. Pan Zhang, Zi-Yan Liu, Dan Yu, Cui-Xian Xu, Yan Hu, Ya-Ping Liang, Jie Jin, Ming Li.  (2022)  Microplitis bicoloratus parasitism promotes cyclophilin D-p53 interaction to induce apoptosis of hemocytes in Spodoptera litura.  ARCHIVES OF INSECT BIOCHEMISTRY AND PHYSIOLOGY,  112  (2): (e21970).  [PMID:36200410] [10.1002/arch.21970]

2. Tong Ye, Ivan Jakovlić, Zixu Chen, Xiangying Wei, Dong Zhang, Jianquan Liu, Gaohong Wang.  (2026)  Genomic foundations of salt tolerance in desert cyanobacteria.  Cell Reports,  45  (2):   [PMID:41689805] [10.1016/j.celrep.2026.116988]

3. Xin Yu, Qinghe Gao, Guoxuan Li, Zhigang Lei, Chao Wang, Li Zhang, Huijuan Qian, Mingliang Zhu, Jin Huang, Conying Lu, Zhichao Zhang.  (2026)  Synergizing passive barrier and active ROS-mediated anti-MIC effect: A microenvironment-responsive LDH-ZIF@CaO₂/epoxy coating against microbiologically influenced corrosion.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2026.110473]

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 119-44-8, the molecular formula is C6H5N5O2, and the molecular weight is 179.14 g/mol. InChIKey VURKRJGMSKJIQX-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.