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

CAS: 2004-03-7 Cat. No.: M333680 Molecular Weight: 134.14 EC Number: 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

Overview

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

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-

Specifications & Purity

≥97%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Product Properties

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

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: CC1=C2C(=NC=N1)N=CN2
• WGK Germany: 3
• RTECS: UO8700000
• Molecular Weight: 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
    • Class Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (50 mg/ml), methanol, warm ethanol, and hot Isoproponal.
• Sensitivity: Light sensitive
• Refractive Index: n20D1.70 (Predicted)
• Boil Point(°C): ~410.9° C at 760 mmHg (Predicted) (tautomer)
• Melt Point(°C): 237-238° C (lit.)
• Molecular Weight: 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