6-Methoxypurine - ≥98% , CAS No.1074-89-1

CAS: 1074-89-1 Cat. No.: M157919 Molecular Weight: 150.14

GRADE & PURITY ≥98%

Synonyms

4,4-dimethyloxolane-2,3-dione | alpha-ketovaline | MFCD00005574 | 6-methoxy-7H-purine | MFCD00127913 | 6-Methoxy-9H-purine | AKOS003621274 | 6-Methoxy-1H-purine # | FT-0621196 | SZL | Cl-917 | FT-0655828 | SY050762 | SCHEMBL284829 | W-108745 | AKOS0052576

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

4, 4-dimethyloxolane-2, 3-dione | alpha-ketovaline | MFCD00005574 | 6-methoxy-7H-purine | MFCD00127913 | 6-Methoxy-9H-purine | AKOS003621274 | 6-Methoxy-1H-purine # | FT-0621196 | SZL | Cl-917 | FT-0655828 | SY050762 | SCHEMBL284829 | W-108745 | AKOS0052576

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488184561
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184561
• Canonical Smiles: COC1=NC=NC2=C1NC=N2
• IUPAC Name: 6-methoxy-7H-purine
• InChIKey: GOILPRCCOREWQE-UHFFFAOYSA-N
• INCHI: 1S/C6H6N4O/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)
• Isomeric SMILES: COC1=NC=NC2=C1NC=N2
• Molecular Weight: 150.14
• Reaxy-Rn: 7692
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7692&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyrimidines
      • Subclass Purines and purine derivatives
        • Level5 Purinones
          • Level6 Hypoxanthines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Purinones
• Direct Parent: Hypoxanthines
• Alternative Parents: Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hypoxanthine - Alkyl aryl ether - Pyrimidine - Heteroaromatic compound - Imidazole - Azole - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
• 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)

PDPK1 Tchem 3-phosphoinositide dependent protein kinase-1 (3758 Activities)

Discover Target: PDPK1

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Melt Point(°C): 196°C(lit.)
• Molecular Weight: 150.140 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 150.054 Da
• Monoisotopic Mass: 150.054 Da
• Topological Polar Surface Area: 63.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 143.000
• 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