modelMercaptopurine
Extends from Pharmacolibrary.Drugs.ATC.L.L01BB02.
Information
| name: | Mercaptopurine | |
| ATC code: | L01BB02 | route: | oral |
| compartments: | 1 | |
| dosage: | 75 | mg |
| volume of distribution: | 0.9 | L |
| clearance: | 84 | L/h/70kg |
| other parameters in model implementation | ||
Mercaptopurine is an antimetabolite and purine analog used primarily in the treatment of acute lymphoblastic leukemia and other hematologic malignancies. It works by inhibiting DNA and RNA synthesis in rapidly dividing cells. Mercaptopurine is still approved and commonly used as part of chemotherapy regimens.
Pharmacokinetics
Pharmacokinetic parameters in adult patients with acute lymphoblastic leukemia under oral administration.
References
Balis, FM, et al., & Bleyer, WA (1998). Pharmacokinetics and pharmacodynamics of oral methotrexate and mercaptopurine in children with lower risk acute lymphoblastic leukemia: a joint children's cancer group and pediatric oncology branch study. Blood 92(10) 3569–3577. PUBMED:https://pubmed.ncbi.nlm.nih.gov/9808549
Saiz-Rodríguez, M, et al., & Abad-Santos, F (2019). Influence of thiopurine S-methyltransferase polymorphisms in mercaptopurine pharmacokinetics in healthy volunteers. Basic & clinical pharmacology & toxicology 124(4) 449–455. DOI:10.1111/bcpt.13153 PUBMED:https://pubmed.ncbi.nlm.nih.gov/30346660
Arun, B, et al., & Gota, V (2024). Bioequivalence study followed by model-informed dose optimization of a powder for oral suspension of 6-mercaptopurine. Pediatric blood & cancer 71(3) e30813–None. DOI:10.1002/pbc.30813 PUBMED:https://pubmed.ncbi.nlm.nih.gov/38110844
Parameters
| Type | Name | Default | Description |
|---|---|---|---|
| Modelica.Units.SI.Mass | weight (from PK_1C) | 75 | patient weight (kg) |
| Modelica.Units.SI.SpecificVolume | VdPerKg (from PK_1C) | 0.9 | Volume of distribution (L/kg) |
| Modelica.Units.SI.MassFraction | F (from PK_1C) | 0.8 | bioavailiability (0-1) |
| Pharmacolibrary.Types.Clearance | Cl (from PK_1C) | 20 | clearance |
| Modelica.Units.SI.Time | adminTime (from PK_1C) | 60 | first administration time (s) |
| Modelica.Units.SI.Time | adminDuration (from PK_1C) | 600 | administration duration (s) |
| Modelica.Units.SI.Time | adminPeriod (from PK_1C) | 8*60*60 | period of administration (default 8 hours)(s) |
| Pharmacolibrary.Types.Mass | adminMass (from PK_1C) | 1000 | administration mass (mg) |
| Integer | adminCount (from PK_1C) | 8 | number of dose administered (1) |
| Pharmacolibrary.Types.Volume | Vd (from PK_1C) | VdPerKg*weight | Volume of distribution (m3) |
| Pharmacolibrary.Types.MassConcentration | Cmin (from PK_1C) | 0.004 | minimal therapeutic range |
| Pharmacolibrary.Types.MassConcentration | Cmax (from PK_1C) | 0.008 | minimal therapeutic range |
| Pharmacolibrary.Types.MassConcentration | Ctox_peak (from PK_1C) | 0.012 | toxicity peak level |
| Pharmacolibrary.Types.MassConcentration | Ctox_trough (from PK_1C) | 0.006 | toxicity trough level |
| Pharmacolibrary.Types.TransferRate | ka (from PK_1C_enteral) | 0.016666666666666666 | first order absorption rate |
| Modelica.Units.SI.Time | Tlag (from PK_1C_enteral) | 600 | delay between oral administration and absorption (default 10min) |
Connectors
| Type | Name | Default | Description |
|---|---|---|---|
| Types.ConcentrationOutput | C_central (from PK_1C) | ||
| Interfaces.ConcentrationPort_b | centralCPort (from PK_1C) |
Components
| Type | Name | Default | Description |
|---|---|---|---|
| Pharmacokinetic.NoPerfusedTissueCompartment | central (from PK_1C) | ||
| Pharmacokinetic.ClearanceDrivenElimination | elim (from PK_1C) | ||
| Sources.PeriodicDose | periodicDose (from PK_1C) | ||
| Modelica.Units.SI.Time | t1_2 (from PK_1C) | elimination half-life |
Revisions
- 06/2025 Tomas Kulhanek, generated model from data extracted from PUBMED, DrugBank and LLM(GPT4.1)