6-metilpurina - ≥97% , CAS No.2004-03-7

CAS: 2004-03-7 Cat. No.: M333680 Peso molecular: 134.14 Número EC: 217-903-2

GRADE & PURITY ≥97%

Synonyms

UNII-SEO6WX0OZG | 6-Methylpurine | W-200569 | NCGC00188229-01 | DB02113 | SCHEMBL129804 | SEO6WX0OZG | CHEBI:40274 | Epitope ID:167472 | Q27093181 | 1H-Purine, 6-methyl- | BDBM92423 | PU10 | 6-Methylpurine, >=99% | 1h-purine,6-methyl- | DTXSID6073283 | 6-

Storage

Protegido de la luz,Almacenar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

Aplicación：

la 6-metilpurina (MeP) es un análogo tóxico de la adenina que se utiliza como inhibidor bisubstrato de enzimas que unen moléculas de adenosilo y que pueden fosforilarse hasta niveles que inhiben la síntesis de ARN y proteínas.

Specifications

Sinónimos

UNII-SEO6WX0OZG | 6-Methylpurine | W-200569 | NCGC00188229-01 | DB02113 | SCHEMBL129804 | SEO6WX0OZG | CHEBI:40274 | Epitope ID:167472 | Q27093181 | 1H-Purine, 6-methyl- | BDBM92423 | PU10 | 6-Methylpurine, >=99% | 1h-purine, 6-methyl- | DTXSID6073283 | 6-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protegido de la luz, Almacenar a -20°C

Enviado en

Hielera + almohadillas de hielo

Pureza

≥97%

Propiedades del producto

• pKa: pKₐ: 9.53 (Predicted), pKₐ: 3.51 (Predicted)

Nombres e identificadores

• Sonrisas canónicas: CC1=C2C(=NC=N1)N=CN2
• IUPAC Name: 6-methyl-7H-purine
• InChIKey: SYMHUEFSSMBHJA-UHFFFAOYSA-N
• INCHI: 1S/C6H6N4/c1-4-5-6(9-2-7-4)10-3-8-5/h2-3H,1H3,(H,7,8,9,10)
• Isómeros SMILES: CC1=C2C(=NC=N1)N=CN2
• WGK Alemania: 3
• RTECS: UO8700000
• Peso molecular: 134.14
• Reaxy-Rn: 4552
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4552&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Purines and purine derivatives
• Alternative Parents: Pyrimidines and pyrimidine derivatives Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine - Pyrimidine - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.
• External Descriptors: purines

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

Objetivos asociados (humanos)

HepG2 (196354 Activities)

Explore this target

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

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

Objetivos asociados (no humanos)

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water (50 mg/ml), methanol, warm ethanol, and hot Isoproponal.
• Sensibilidad: Light sensitive
• Índice de refracción: n20D1.70 (Predicted)
• Punto de ebullición (°C): ~410.9° C at 760 mmHg (Predicted) (tautomer)
• Punto de fusión (°C): 237-238° C (lit.)
• Peso molecular: 134.140 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 134.059 Da
• Monoisotopic Mass: 134.059 Da
• Topological Polar Surface Area: 54.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 127.000
• 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