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

CAS: 1074-89-1 Cat. No.: M157919 Summenformel: C₆H₆N₄O Molekulargewicht: 150.14

QUALITÄT & REINHEIT ≥98%

Synonyms

4,4-dimethyloxolane-2,3-dione|alpha-ketovaline|6-methoxy-7H-purine|6-Methoxy-9H-purine|6-Methoxy-1H-purine #|SZL|Cl-917|1H-Purine, 6-methoxy-|6-Methoxypurine|6-methoxypu-rine|9H-Purine, 6-methoxy-|2,3-Dideoxypentaric acid|Monochloroacetaldehyde|O-Methylhypoxanthine|Purine, 6-methoxy-|hydroxypropanedioic acid|9H-Purine,6-methoxy-|6-methoxy purine

Storage

Argon charged,Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

4,4-dimethyloxolane-2,3-dione | alpha-ketovaline | 6-methoxy-7H-purine | 6-Methoxy-9H-purine | 6-Methoxy-1H-purine # | SZL | Cl-917 | 1H-Purine, 6-methoxy- | 6-Methoxypurine | 6-methoxypu-rine | 9H-Purine, 6-methoxy- | 2,3-Dideoxypentaric acid | Monochloroacetaldehyde | O-Methylhypoxanthine | Purine, 6-methoxy- | hydroxypropanedioic acid Show more

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488184561

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184561

Kanonisches Lächeln

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)

Isomere SMILES

COC1=NC=NC2=C1NC=N2

Molekulargewicht

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
    • Klasse Imidazopyrimidines
      • Subclass Purines and purine derivatives
        • Ebene5 Purinones
          • Ebene6 Hypoxanthines

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

Zugehörige Ziele (menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive
• Schmelzpunkt (°C): 196°C(lit.)
• Molekulargewicht: 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