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Pimasertib (AS-703026)

CAT: 1568-C07828-5mgSize: 5 mgDry Ice: YesHazardous: No
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CAT#:1568-C07828-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1236699-92-5
Synonyms
MSC1936369B, SAR 245509
Target
MEK
Applications
Protein Tyrosine Kinase
Smiles
C1=CC (=C (C=C1I) F) NC2=C (C=CN=C2) C (=O) NCC (CO) O
Molecular Formula
C15H15FIN3O3
Additionnal Information
Pimasertib (AS-703026, MSC1936369B, SAR 245509) is a highly selective, potent, ATP non-competitive allosteric inhibitor of MEK1/2 with IC50 of 5 nM-2 μM in MM cell lines. Phase 2.
Storage Conditions
2 years -80 in solvent

Chemical Information

Pimasertib

Pimasertib is a secondary carboxamide resulting from the formal condensation of the carboxy group of 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylic acid with the amino group of (2S)-3-aminopropane-1,2-diol. It is a potent inhibitor of the mitogen-activated protein kinases MEK1 and MEK2 with potential antineoplastic activity. It has a role as an antineoplastic agent, an apoptosis inducer and an EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor. It is a secondary carboxamide, a primary alcohol, a diol, a pyridinecarboxamide, a secondary alcohol, an aminopyridine, a difluorobenzene and a substituted aniline.

CAS Number1236699-92-5
PubChem CID44187362
IUPAC NameN-[(2S)-2,3-dihydroxypropyl]-3-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
Molecular FormulaC15H15FIN3O3
Molecular Weight431.20
XLogP1.7
Topological Polar Surface Area94.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity391
SMILES
C1=CC(=C(C=C1I)F)NC2=C(C=CN=C2)C(=O)NC[C@@H](CO)O
InChI
InChI=1S/C15H15FIN3O3/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21/h1-5,7,10,20-22H,6,8H2,(H,19,23)/t10-/m0/s1
InChIKey
VIUAUNHCRHHYNE-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of Pimasertib
CAS: 1236699-92-5
CID: 44187362
Formula: C15H15FIN3O3
MW: 431.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.20
XLogP31.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass431.01422
Monoisotopic Mass431.01422
Topological Polar Surface Area94.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity391
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

Alternative Products

CatalogName
A5573-10Pimasertib (AS-703026)
MBS6037722-01AS-703026
GTR19208143-01AS 703026
B1698-25Pimasertib

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