3-Methyladenine - autophagy inhibitor , CAS No.5142-23-4

CAS: 5142-23-4 Cat. No.: M486160 Formule: C₆H₇N₅ Poids moléculaire: 149.15 Numéro CE: 225-908-6

GRADE & PURITY autophagy inhibitor

Synonyms

3-methyl-3H-purin-6-amine (ACD/Name 4.0) | 3-Methyl-3H-purin-6-amine # | Purine, 3,6-dihydro-6-imino-3-methyl- | AC-28818 | FSASIHFSFGAIJM-UHFFFAOYSA-N | HY-19312 | W-202935 | 3899G64TKW | 3-Methyl-3H-adenine | 3-methyl-3H-purin-6-ylamine (ACD/Name 4.0) |

Storage

Room temperature

Vue d’ensemble

Description

3-Methyladenine (3-MA) is used to inhibit and study the mechanism of autophagy (lysosomal self-degradation) and apoptosis under various conditions. 3-MA inhibits autophagy by blocking autophagosome formation via the inhibition of type III Phosphatidylinositol 3-kinases (PI-3K). For use as an autophagy inhibitor, 3-MA is typically used at a concentration of 5 mM.Standard for detection of nucleic acid methylation during carcinogenesis.

Specifications

Synonymes

3-methyl-3H-purin-6-amine (ACD/Name 4.0) | 3-Methyl-3H-purin-6-amine # | Purine, 3,6-dihydro-6-imino-3-methyl- | AC-28818 | FSASIHFSFGAIJM-UHFFFAOYSA-N | HY-19312 | W-202935 | 3899G64TKW | 3-Methyl-3H-adenine | 3-methyl-3H-purin-6-ylamine (ACD/Name 4.0) |

Spécifications et pureté

autophagy inhibitor

Conditions de stockage de stockage

Room temperature

Noms et identifiants

Pubchem Sid

504773240

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773240

Sourires canoniques

CN1C=NC(=N)C2=C1N=CN2

IUPAC Name

3-methyl-7H-purin-6-imine

InChIKey

ZPBYVFQJHWLTFB-UHFFFAOYSA-N

INCHI

1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3,7H,1H3,(H,8,9)

Isomères SMILES

CN1C=NC(=N)C2=C1N=CN2

WGK Allemagne

3

RTECS

AU6520000

Poids moléculaire

149.15

Reaxy-Rn

512745

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=512745&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
• 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: 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

Propriétés chimiques et physiques

• Solubilité: DMF: 9.80-10.20mg/mL, clear, colorless to light yellow
• Point de fusion (°C): 300 °C(dec.)
• Poids moléculaire: 149.150 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 149.07 Da
• Monoisotopic Mass: 149.07 Da
• Topological Polar Surface Area: 68.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 211.000
• 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