| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 20 | No |
Popular Name: Pentoxifylline Pentoxifylline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 6493-05-6 , [6493-05-6]
1,2,3,6-Tetrahydro-3,7-dimethyl-1-(5-oxohexyl)-2,6-purindion
1-(5-Oxohexyl)-3,7-dimethylxanthine
1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(5-oxohexyl)-
3,7-dihydro-3,7-dimethyl-1-(5-oxohexyl)-1H-Purine-2,6-dione
3,7-Dimethyl-1-(5-oxo-hexyl)-3,7-dihydro-purine-2,6-dione
3,7-Dimethyl-1-(5-oxohexyl) xantine
3,7-Dimethyl-1-(5-oxohexyl)-1H,3H-purin-2,6-dione
3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione
3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione
3,7-Dimethyl-1-(5-oxohexyl)xanthine
3,7-Dimethyl-1-(5-oxohexyl)xantine
3,9-dimethyl-1-(5-oxohexyl)-2,3,6,9-tetrahydro-1H-purine-2,6-dione
5-26-14-00081 (Beilstein Handbook Reference)
6493-05-6; C07424; Pentoxifylline
6493-05-6; D00501; Pentoxifylline (JAN/USP/INN); Pentoxil (TN); Trental (TN)
6493-05-6; Pentoxifylline; Prestwick_608
CPD000035998; Pentoxifylline; SAM001247011; Trental
CPD000035998; SAM001247011; Trental; pentoxifylline
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.65 | 8.13 | -15.25 | 0 | 7 | 0 | 79 | 278.312 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 1.856 | Bitter DB |
| biological_use | . | ZereneX Building Blocks |
| MP | 103 - 105 °C | Fluorochem |
| ALOGPS_SOLUBILITY | 5.17e+00 g/l | DrugBank-approved |
| Purity | >99% | Fluorochem |
| mechanism | Along with erythrocyte activity, pentoxifylline also decreases blood viscosity by reducing plasma fibrinogen concentrations and increasing fibrinolytic activity | IBScreen Bioactives |
| mechanism | Inhibits erythrocyte phosphodiesterase, resulting in an increase in erythrocyte cAMP activity. Subsequently, the erythrocyte membrane becomes more resistant to deformity | IBScreen Bioactives IBScreen Bioactives |
| Therapy | Inhibits synthesis of tumor necrosis factor alpha (TNF-alpha); phosphodiesterase inhibitor | SMDC Iconix |
| biological_use | It also helps prevent strokes, can be used in managing sickle cell disease and improves blood flow to the brain | IBScreen Bioactives |
| biological_use | It is used to treat intermittent claudication resulting from obstructed arteries in the limbs, and vascular dementia | IBScreen Bioactives IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 101755 | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| therap | PDE inhibitor, bronchodilator, vasodilator | MicroSource Spectrum |
| biological_use | Pentoxifylline has also been used to treat nausea and headaches in the mountains (altitude sickness). | IBScreen Bioactives |
| biological_use | Pentoxifylline improves blood flow through blood vessels and therefore helps with blood circulation in the arms and legs (e.g. intermittent claudication) | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 101755 | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA2BR-1-E | Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5180 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA2BR_HUMAN | P29275 | Adenosine A2b Receptor, Human | 5180 | 0.37 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| G alpha (s) signalling events |
