| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 19 | No |
Popular Name: 6-MERCAPTOPURINE RIBOSIDE 6-MERCAPTOPURINE RIBOSIDE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 574-25-4 , [4988-64-1]
"6-Mercaptopurine-9-D-riboside, 98%"
574-25-4; 6-Mercaptopurine riboside (JAN); D01678; Thioinosine (JAN)
| 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) | -1.48 | -11.05 | -27.51 | 4 | 8 | 0 | 116 | 284.297 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 218 - 221 | Acros Organics |
| PUBCHEM_PATENT_ID | EP0414730A1; EP0414730B1; EP0935466A1; US5428163; US5654286; US5773592; US5801159; US6008334; US6069132; US6107039; WO1989009833A1; WO1997030713A1; WO1998001459A1; WO1998003532A1; WO1999008688A1; WO2000016780A1 | IBM Patent Data |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193-6-O | L1210 (Lymphocytic Leukemia Cells) (cluster #6 Of 12), Other | Other | 68 | 0.53 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 10 | 0.59 | Functional ≤ 10μM |
