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Pimasertib

CAT: 0127-BUP10013-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP10013-02Size:10 mg
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CAS Number
1236699-92-5
Synonyms
AS703026, MSC1936369B, SAR 245509
Purity
=98%
Smiles
OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F

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
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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
B1698-25Pimasertib
A5573-10Pimasertib (AS-703026)
MBS384239-01AS703026 (Pimasertib)
MBS5813702Pimasertib HCl
HY-12042APimasertib (hydrochloride)
MBS131302AS703026(Pimasertib)

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