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PD318088

CAT: 0804-HY-12062-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-12062-04Size:25 mg
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Description
PD318088 is a potent, allosteric and non-ATP competitive MEK1/2 inhibitor, an analog of PD184352. PD318088 binds simultaneously with ATP in a region of the MEK1 active site that is adjacent to the ATP-binding site. PD318088 can be used for cancer research[1].
CAS Number
391210-00-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
MEK
Type
Reference compound
Related Pathways
MAPK/ERK Pathway
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/PD318088.html
Purity
99.82
Solubility
DMSO : ≥ 100 mg/mL
Smiles
BrC1=CC(C(NOCC(CO)O)=O)=C(C(F)=C1F)NC2=CC=C(C=C2F)I
Molecular Formula
C16H13BrF3IN2O4
Molecular Weight
561.09
Precautions
H302, H315, H319, H335
References & Citations
[1]Ohren JF, et al. Structures of human MAP kinase kinase 1 (MEK1) and MEK2 describe novel noncompetitive kinase inhibition. Nat Struct Mol Biol. 2004 Dec;11 (12) :1192-7.|[2]Han S, et al. Identification of coumarin derivatives as a novel class of allosteric MEK1 inhibitors. Bioorg Med Chem Lett. 2005 Dec 15;15 (24) :5467-73.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
MEK1; MEK2

Chemical Information

PD318088
CAS Number391210-00-7
PubChem CID10231331
IUPAC Name5-bromo-N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
Molecular FormulaC16H13BrF3IN2O4
Molecular Weight561.09
XLogP3.7
Topological Polar Surface Area90.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity499
SMILES
C1=CC(=C(C=C1I)F)NC2=C(C(=C(C=C2C(=O)NOCC(CO)O)Br)F)F
InChI
InChI=1S/C16H13BrF3IN2O4/c17-10-4-9(16(26)23-27-6-8(25)5-24)15(14(20)13(10)19)22-12-2-1-7(21)3-11(12)18/h1-4,8,22,24-25H,5-6H2,(H,23,26)
InChIKey
XXSSGBYXSKOLAM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PD318088
CAS: 391210-00-7
CID: 10231331
Formula: C16H13BrF3IN2O4
MW: 561.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight561.09
XLogP33.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass559.90555
Monoisotopic Mass559.90555
Topological Polar Surface Area90.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity499
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B1697-5PD318088

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