HuagongsheHuagongshe Chemistry Print Report · For research reference only
Bimolane
AT-1727 · Bimolane · 4,4'-Ethylenebis[1-(morpholinomethyl)-2,6-piperazinedione] · 4,4'-(ethane-1,2-diyl)bis(1-(morpholinomethyl)piperazine-2,6-dione) · 2,6-Piperazinedione, 4,4'-(1,2-ethanediyl)bis[1-(4-morpholinylmethyl)- · 1-(morpholin-4-ylmethyl)-4-[2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione · psoriasis,anti-neoplastic agent,Bimolane,Inhibitor,lymphocytes,AT1727,chromosomal aberration,Topoisomerase,leukemogenic,inhibit,AT-1727,AT 1727
Identifiers & Physical Properties
| CAS No. | 74550-97-3 |
|---|---|
| Molecular formula | C20H32N6O6 |
| Average molar mass | 452.5 g/mol |
| Monoisotopic mass | 452.23833276 g/mol |
| SMILES | O=C1CN(CCN2CC(=O)N(CN3CCOCC3)C(=O)C2)CC(=O)N1CN1CCOCC1 |
| InChIKey | JGQGCJKPBAYEHO-UHFFFAOYSA-N |
| PubChem CID | 100708 |
| ChEMBL | CHEMBL488455 |
| DTXSID | DTXSID50225549 |
Chemical & Physical Properties
| XLogP | -1.9 |
|---|---|
| Topological polar surface area | 106 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 10 |
| Rotatable bonds | 7 |
| Heavy atoms | 32 |
| Formal charge | 0 |
| Complexity | 627 |
| Boiling point | 679.2±55.0 °C(Predicted) |
| Density | 1.326±0.06 g/cm3(Predicted) |
| Storage conditions | Refrigerator |
| Solubility | Chloroform (Slightly) |
| pKa (acidity coefficient) | 5.51±0.10(Predicted) |
| Physical state | Solid |
| Color | White to Off-White |
| FDA UNII | 25O7OKR315 |
Applications & Uses
Uses
Bimolane is a catalytic inhibitors of topoisomerase II and has been used for the treatment of cancer, psoriasis and uveitis in humans.