3-Methyladenine

Details

• Internal ID: 8a3a3f18-8515-4810-ab08-4815ffe93d06
• Taxonomy: Organoheterocyclic compounds > Imidazopyrimidines > Purines and purine derivatives
• IUPAC Name: 3-methyl-7H-purin-6-imine
• InChI: InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3,7H,1H3,(H,8,9)
• InChI Key: ZPBYVFQJHWLTFB-UHFFFAOYSA-N
• Popularity: 3,697 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₇N₅
• Molecular Weight: 149.15 g/mol
• Exact Mass: 149.07014524 g/mol
• Topological Polar Surface Area (TPSA): 68.10 Ų
• XlogP: -0.20

Synonyms

• 5142-23-4
• 3-Methyl-3H-purin-6-amine
• 3-MA
• 6-Amino-3-methylpurine
• 3H-Purin-6-amine, 3-methyl-
• 3-Methyl-3H-adenine
• 3-methylpurin-6-amine
• ADENINE, 3-METHYL-
• NSC 66389
• C6H7N5
• MFCD00010531
• 3-methyl-7H-purin-6-imine
• CHEBI:38635
• 3-Methyl-d3-adenine
• DR88TV7SNU
• 3-METHYL-3H-PURIN-6-YLAMINE
• 3-Methyladenine (3-MA)
• Autophagy Inhibitor, 3-MA
• 3,9-dihydro-3-methyl-6H-Purin-6-imine
• 60192-57-6
• 3899G64TKW
• NSC-66389
• Purine, 3,6-dihydro-6-imino-3-methyl-
• 6H-Purin-6-imine, 3,7-dihydro-3-methyl-
• 6H-Purin-6-imine, 3,9-dihydro-3-methyl-
• n3-methyladenine
• 3-MA nucleobase
• N(3)-methyladenine
• EINECS 225-908-6
• BRN 0146087
• 3-methyl-Adenine
• 3-Methyladenine autophagy inhibitor
• NSC66389
• 1p7m
• 4ai5
• UNII-DR88TV7SNU
• NCIOpen2_000270
• SCHEMBL48369
• 5-26-17-00151 (Beilstein Handbook Reference)
• MLS006010995
• SCHEMBL254058
• UNII-3899G64TKW
• METHYLADENINE, N(3)-
• CHEMBL292268
• 3-METHYL-6-AMINOPURINE
• CHEMBL4303725
• SCHEMBL15764619
• 3-Methyl-3H-purin-6-amine #
• DTXSID80199406
• EX-A130
• FSASIHFSFGAIJM-UHFFFAOYSA-N
• Bio1_000422
• Bio1_000911
• Bio1_001400
• DTXSID901346127
• HMS3656P04
• AMY11868
• BCP02452
• 3-Methyladenine, autophagy inhibitor
• BDBM50488841
• HB2267
• s2767
• AKOS003382321
• AKOS006228458
• CCG-206388
• CS-5207
• DB04104
• NCGC00345447-02
• AC-28818
• AS-19224
• HY-19312
• PD019337
• SMR002530641
• SY026559
• A7582
• FT-0635560
• FT-0671432
• M2518
• SW220216-1
• 3-methyl-3H-purin-6-amine (ACD/Name 4.0)
• C00913
• 3-methyl-3H-purin-6-ylamine (ACD/Name 4.0)
• J-640198
• J-800199
• W-202935
• BRD-K81647657-001-01-9
• Q27094948
• InChI=1/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.68%	96.09%
CHEMBL2581	P07339	Cathepsin D	87.77%	98.95%
CHEMBL4208	P20618	Proteasome component C5	87.32%	90.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.91%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.19%	94.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.78%	86.33%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	81.86%	93.65%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	80.53%	85.14%

Plants that contains it

• Sophora leachiana

Cross-Links

• PubChem: 135398661
• LOTUS: LTS0094054
• wikiData: Q105200443