Compound Summary
Compound Information
1,3-Dipropyl-8-p-sulfophenylxanthine
Compound Name: | 1,3-Dipropyl-8-p-sulfophenylxanthine |
Compound CID: | 1330 |
Synonyms: | 1,3-Dipropyl-8-p-sulfophenylxanthine 89073-57-4 DPSPX 1,3-Dipropyl-8-(4-sulfophenyl)xanthine 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)benzenesulfonic acid More... |
Iupac Name: | 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzenesulfonic acid |
InChI: | InChI=1S/C17H20N4O5S/c1-3-9-20-15-13(16(22)21(10-4-2)17(20)23)18-14(19-15)11-5-7-12(8-6-11)27(24,25)26/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)(H,24,25,26) |
InChIKey: | IWALGNIFYOBRKC-UHFFFAOYSA-N |
Canonical Smiles: | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)O |
Isomeric Smiles: | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)O |
Molecular Weight: | 392.4 |
Molecular Formula: | C17H20N4O5S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
1,3-Dipropyl-8-p-sulfophenylxanthine
Molecular Weight: | 392.4 |
Molecular Formula: | C17H20N4O5S |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 27 |
Complexity: | 671 |
Synonyms
1,3-Dipropyl-8-p-sulfophenylxanthine
| 1,3-Dipropyl-8-p-sulfophenylxanthine | 1,3-Dipropyl-8-p-sulfophenylxanthine |
|---|---|
1,3-Dipropyl-8-p-sulfophenylxanthine |
89073-57-4 |
DPSPX |
1,3-Dipropyl-8-(4-sulfophenyl)xanthine |
4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)benzenesulfonic acid |
4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzenesulfonic acid |
CHEMBL418333 |
1,3-Dipropyl-8-(p-sulfophenyl)xanthine |
Benzenesulfonic acid,4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)- |
PSPX |
1,3-Dspx |
ACMC-20ccmd |
Lopac-A-022 |
Lopac0_000145 |
MLS002153336 |
SCHEMBL1321892 |
DTXSID70237528 |
HMS2231H19 |
HMS3260M12 |
HMS3374O06 |
ZINC9229228 |
Tox21_500145 |
BDBM50018162 |
CCG-204240 |
LP00145 |
SDCCGSBI-0050133.P002 |
VZ20604 |
4-(2,3,6,7-Tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)benzenesulfonic acid |
NCGC00015001-01 |
NCGC00015001-02 |
NCGC00015001-03 |
NCGC00015001-04 |
NCGC00015001-06 |
NCGC00093635-01 |
NCGC00093635-02 |
NCGC00260830-01 |
SMR000326868 |
A-022 |
EU-0100145 |
FT-0606724 |
1,3-Dipropyl-8-(p-sulfophenyl)xanthine, powder |
SR-01000075228 |
SR-01000075228-1 |
4-(1,3-dipropyl-2,3,6,7-tetrahydro-2,6-dioxo-1H-purin-8-yl)benzenesulfonic acid |
4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid |
Benzenesulfonic acid, 4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)- |
4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid:1/4 moles H2O |
Experimental Data
1,3-Dipropyl-8-p-sulfophenylxanthine
| 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 | 33 | umol/L | -3 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
1,3-Dipropyl-8-p-sulfophenylxanthine
Statistics Data
1,3-Dipropyl-8-p-sulfophenylxanthine
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -3 | 1 | 1 |
Statistics Data Visualization
1,3-Dipropyl-8-p-sulfophenylxanthine
