Compound Summary
Compound Information
1-Methylxanthine
Compound Name: | 1-Methylxanthine |
Compound CID: | 80220 |
Synonyms: | 1-Methylxanthine 6136-37-4 1-Methyl-3,7-dihydro-purine-2,6-dione 1-Methyl-1H-purine-2,6(3H,7H)-dione Methylxanthine More... |
Iupac Name: | 1-methyl-3,7-dihydropurine-2,6-dione |
InChI: | InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12) |
InChIKey: | MVOYJPOZRLFTCP-UHFFFAOYSA-N |
Canonical Smiles: | CN1C(=O)C2=C(NC1=O)N=CN2 |
Isomeric Smiles: | CN1C(=O)C2=C(NC1=O)N=CN2 |
Molecular Weight: | 166.14 |
Molecular Formula: | C6H6N4O2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
1-Methylxanthine
Molecular Weight: | 166.14 |
Molecular Formula: | C6H6N4O2 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 0 |
Heavy Atom Count: | 12 |
Complexity: | 242 |
Synonyms
1-Methylxanthine
| 1-Methylxanthine | 1-Methylxanthine |
|---|---|
1-Methylxanthine |
6136-37-4 |
1-Methyl-3,7-dihydro-purine-2,6-dione |
1-Methyl-1H-purine-2,6(3H,7H)-dione |
Methylxanthine |
Xanthine, 1-methyl- |
1-methyl xanthine |
1-methyl-3,7-dihydropurine-2,6-dione |
UNII-7EE8WCA32U |
2,6-Dihydroxy-1-methylpurine |
1-methyl-7H-xanthine |
MFCD00005561 |
1H-Purine-2,6-dione, 3,7-dihydro-1-methyl- |
7EE8WCA32U |
CHEMBL1250 |
CHEBI:68444 |
1-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione |
SMR000857247 |
CCRIS 5816 |
3,7-Dihydro-1-methyl-1H-purine-2,6-dione |
EINECS 228-108-5 |
1-methyl-3,9-dihydropurine-2,6-dione |
Spectrum_000233 |
SpecPlus_000793 |
Spectrum2_001195 |
Spectrum3_001714 |
Spectrum4_001810 |
Spectrum5_000519 |
1-Methylxanthine, 98% |
1-Methyl-3,7-dihydro-1H-purine-2,6-dione |
Oprea1_807160 |
SCHEMBL10996 |
BSPBio_003328 |
KBioGR_002423 |
KBioSS_000713 |
MLS001333143 |
MLS001333144 |
DivK1c_006889 |
SPECTRUM2300329 |
SPBio_001269 |
SCHEMBL9467551 |
SCHEMBL12037451 |
1-Methyl-1H-purine-2,6-diol |
BDBM82020 |
KBio1_001833 |
KBio2_000713 |
KBio2_003281 |
KBio2_005849 |
KBio3_002548 |
DTXSID30210271 |
HMS2233F07 |
HMS3371B10 |
AMY15683 |
CAS_80220 |
CCG-38576 |
NSC_80220 |
ZINC13517144 |
AKOS006229655 |
AKOS015919510 |
CS-W008449 |
GS-3924 |
HY-W008449 |
MCULE-9373290148 |
SDCCGMLS-0066848.P001 |
1-Methylxanthine, >=97.0% (HPLC) |
NCGC00095783-01 |
1-Methyl-3,9-dihydro-purine-2,6-dione |
AC-28113 |
SY021722 |
1-methyl-1,3,7-trihydropurine-2,6-dione |
AB0025823 |
DB-025633 |
FT-0635988 |
FT-0672369 |
M2432 |
ST50298911 |
W7363 |
1-Methyl-3,7-dihydro-1H-purine-2,6-dione # |
136M374 |
Q27136943 |
1-Methyl-3,9-dihydro-purine-2,6-dione(1-methyl xanthine) |
1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-;1-Methyl-3,7-dihydro-1H-purine-2,6-dione |
Experimental Data
1-Methylxanthine
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 50 | ug/mL | 17.22 | 16.35 | -0.05 | S | N2 | 30061824 | Inactive |
Experimental Data Visualization
1-Methylxanthine
Statistics Data
1-Methylxanthine
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -0.05 | 1 | 1 |
Statistics Data Visualization
1-Methylxanthine
