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

CAS: 2004-03-7 Cat. No.: M333680 Fórmula: C₆H₆N₄ Peso molecular: 134.14 Número CE: 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

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Application：

6-Methylpurine (MeP) is a toxic adenine analog used as a bisubstrate inhibitor of enzymes that bind adenosyl moieties and which may become phosphorylated to levels that inhibit RNA and protein synthesis.

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-

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Propriedades do produto

pKa

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

Nomes e identificadores

Pubchem Sid

508810188

Sorrisos canónicos

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)

SMILES isoméricas

CC1=C2C(=NC=N1)N=CN2

WGK Alemanha

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
    • Classe Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Alvos associados (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

Alvos associados (não 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 ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water (50 mg/ml), methanol, warm ethanol, and hot Isoproponal.
• Sensibilidade: Light sensitive
• Índice de refração: n20D1.70 (Predicted)
• Ponto de ebulição (°C): ~410.9° C at 760 mmHg (Predicted) (tautomer)
• Ponto de fusão (°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