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N-((2R)-2,3-Dihydroxypropoxy)-3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)benzamide

CAS: 391210-10-9
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391210-10-9

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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