Drug Details

General Information of the Drug (ID: DR0067)
Name
3-methyladenine
Synonyms
3-methyladenine; 5142-23-4; 3-Methyl-3H-purin-6-amine; 6-Amino-3-methylpurine; 3-MA; 3-Methyl-3H-adenine; 3H-Purin-6-amine, 3-methyl-; NSC 66389; n3-methyladenine; ADENINE, 3-METHYL-; MFCD00010531; CHEBI:38635; UNII-DR88TV7SNU; DR88TV7SNU; 3-METHYL-3H-PURIN-6-YLAMINE; 3-Methyladenine autophagy inhibitor; 3-Methyladenine, 90+%; 3-MA nucleobase; 3-Methyladenine (3-MA); 3MA; 60192-57-6; N(3)-methyladenine; 3-methylpurin-6-amine; EINECS 225-908-6; BRN 0146087; 3-methyl-7H-purin-6-imine; 3mea; 3-methyl-Adenine; 3-Methyladenine?; NSC66389; 1p7m; 4ai5; Autophagy Inhibitor, 3-MA; NCIOpen2_000270; SCHEMBL48369; 5-26-17-00151 (Beilstein Handbook Reference); MLS006010995; SCHEMBL254058; CHEMBL292268; 3-methyl-3-hydropurin-6-imine; CHEMBL4303725; SCHEMBL15764619; 3-Methyl-3H-purin-6-amine #; AOB2548; DTXSID80199406; EX-A130; 3-methyl-3-hydropurine-6-ylamine; Bio1_000422; Bio1_000911; Bio1_001400; HMS3656P04; ZINC403086; 3-Methyl-7H-purine-6(3H)-imine; ACN-C001131; AMY11868; BCP02452; 3-Methyladenine, autophagy inhibitor; ABP000334; ANW-54285; BDBM50488841; NSC-66389; QC-518; s2767; SBB086626; AKOS003382321; AKOS006228458; ZINC100003619; ACN-001131; CCG-206388; CS-5207; DB04104; MCULE-5086156902; NSC 66389 (3-MA); VZ27096; NCGC00345447-02; AC-28818; AK-94088; AS-19224; HY-19312; SMR002530641; SY026559; AB0007938; DB-051961; A7582; FT-0635560; FT-0671432; M2518; ST50298916; SW220216-1; X5709; 3-methyl-3H-purin-6-amine (ACD/Name 4.0); C00913; Q-9331; 3-methyl-3H-purin-6-ylamine (ACD/Name 4.0); J-640198; J-800199; W-202935; BRD-K81647657-001-01-9; Q27094948
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Molecular Type
Small molecule
Disease Cardiac injury [ICD-11: NB31] Investigative [1]
Structure
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2D MOL

3D MOL

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Formula
C6H7N5
PubChem CID
135398661
Canonical SMILES
CN1C=NC(=N)C2=C1N=CN2
InChI
1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3,7H,1H3,(H,8,9)
InChIKey
ZPBYVFQJHWLTFB-UHFFFAOYSA-N
CAS Number
CAS 5142-23-4
ChEBI ID
CHEBI:38635
DrugBank ID
DB04104
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Pterostilbene      Vitis vinifera     Click to Show/Hide the Molecular Data of This NP
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation		 Down-regulation Expression VIM  Molecule Info 
Pathway MAP
                    In-vitro Model MDA-MB-231 CVCL_0062 Breast adenocarcinoma Homo sapiens
BT-549 CVCL_1092 Invasive breast carcinoma Homo sapiens
                    Experimental
                    Result(s)		 The anti-tumor efficiency of pterostilbene is promoted with a combined treatment of Fas signaling or autophagy inhibitors in triple negative breast cancer cells.
Target and Pathway
Target(s) Arachidonate 5-lipoxygenase (5-LOX)  Molecule Info  [3]
BioCyc Aspirin-triggered lipoxin biosynthesis Click to Show/Hide
2 Resolvin D biosynthesis
3 Leukotriene biosynthesis
4 Lipoxin biosynthesis
5 Aspirin triggered resolvin D biosynthesis
6 Aspirin triggered resolvin E biosynthesis
KEGG Pathway Arachidonic acid metabolism Click to Show/Hide
2 Metabolic pathways
3 Serotonergic synapse
4 Ovarian steroidogenesis
5 Toxoplasmosis
NetPath Pathway IL4 Signaling Pathway Click to Show/Hide
Pathwhiz Pathway Arachidonic Acid Metabolism Click to Show/Hide
WikiPathways Vitamin D Receptor Pathway Click to Show/Hide
2 Arachidonic acid metabolism
3 Eicosanoid Synthesis
4 Selenium Micronutrient Network
References
Reference 1 Autophagy inhibitor 3-methyladenine alleviates overload-exercise-induced cardiac injury in rats. Acta Pharmacol Sin. 2017 Jul;38(7):990-997.
Reference 2 The anti-tumor efficiency of pterostilbene is promoted with a combined treatment of Fas signaling or autophagy inhibitors in triple negative breast cancer cells. Food Funct. 2014 Aug;5(8):1856-65.
Reference 3 Triptolide augments the effects of 5-lipoxygenase RNA interference in suppressing pancreatic tumor growth in a xenograft mouse model. Cancer Chemother Pharmacol. 2012 Jan;69(1):253-61.
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