| 1 | Mirdametinib |
| 2 | PD0325901 |
| 3 | PD 0325901 |
| 4 | PD-0325901 |
| 5 | N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide |
PD 0325901 is a hydroxamic acid ester that is benzhydroxamic acid (N-hydroxybenzamide) in which the hydroxamic acid group has been converted to the corresponding 2,3-dihydroxypropyl ester and in which the benzene ring has been substituted at position 2 by a (2-fluoro-4-iodophenyl)amino group and at positions 3 and 4 by fluorines (the R enantiomer). It has a role as an antineoplastic agent and an EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor. It is a member of propane-1,2-diols, an organoiodine compound, a difluorobenzene, a secondary amino compound, a hydroxamic acid ester and a member of monofluorobenzenes.
| Molecular Formula | C16H14F3IN2O4 |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 482.1900 |
| InChIKey | SUDAHWBOROXANE-SECBINFHSA-N |
| InChI | InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1 |
| XLogP | 3.0000 |
| ExactMass | 481.9950 |
| MonoisotopicMass | 481.9950 |
| TPSA | 90.8000 |
| Complexity | 465.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 4 |
| HBondAcceptorCount | 8 |
| RotatableBondCount | 7 |
| HeavyAtomCount | 26 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 1 |
| DefinedAtomStereoCount | 1 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 8407 |
| PatentFamilyCount | 2964 |
| LiteratureCount | 1399 |