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AZD6244 (Selumetinib)

CAT: 0607-A8207-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0607-A8207-500Size:500 mg
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Description
MEK inhibitor
CAS Number
606143-52-6
Product Name Alternative
6-(4-bromo-2-chloroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide
Field of Research
MAPK Signaling MEK1 2
Purity
0.9845
Form
A solid
Solubility
≥22.88 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH
Smiles
CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO
Molecular Formula
C17H15BrClFN4O3
Molecular Weight
457.69
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Selumetinib

Selumetinib is a member of the class of benzimidazoles that is 1-methyl-1H-benzimidazole which is substituted at positions 4, 5, and 6 by fluorine, (4-bromo-2-chlorophenyl)amino, and N-(2-hydroxyethoxy)aminocarbonyl groups, respectively. It is a MEK1 and MEK2 inhibitor. It has a role as an anticoronaviral agent, an antineoplastic agent and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a member of benzimidazoles, an organofluorine compound, a member of bromobenzenes, a secondary amino compound, a hydroxamic acid ester and a member of monochlorobenzenes.

CAS Number606143-52-6
PubChem CID10127622
IUPAC Name6-(4-bromo-2-chloroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide
Molecular FormulaC17H15BrClFN4O3
Molecular Weight457.7
XLogP3.6
Topological Polar Surface Area88.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity523
SMILES
CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO
InChI
InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)
InChIKey
CYOHGALHFOKKQC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Selumetinib
CAS: 606143-52-6
CID: 10127622
Formula: C17H15BrClFN4O3
MW: 457.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.7
XLogP33.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass456.00001
Monoisotopic Mass456.00001
Topological Polar Surface Area88.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity523
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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