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PD0325901

CAT: 1410-M14345-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M14345-04Size:50 mg
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Description
A selective, non ATP-competitive MEK inhibitor with IC50 of 0.33 nM.
CAS Number
391210-10-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
482.1931
Molecular Formula
C16H14F3IN2O4
Notes
Research use only, not for human use.
Receptor
MEK

Chemical Information

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.

CAS Number391210-10-9
PubChem CID9826528
IUPAC NameN-[(2R)-2,3-dihydroxypropoxy]-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
Molecular FormulaC16H14F3IN2O4
Molecular Weight482.19
XLogP3
Topological Polar Surface Area90.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity465
SMILES
C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O
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
InChIKey
SUDAHWBOROXANE-SECBINFHSA-N
Chemical Structure
2D Structure
2D structure of N-((2R)-2,3-Dihydroxypropoxy)-3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)benzamide
CAS: 391210-10-9
CID: 9826528
Formula: C16H14F3IN2O4
MW: 482.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.19
XLogP33
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass481.99504
Monoisotopic Mass481.99504
Topological Polar Surface Area90.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity465
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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