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Pimasertib

CAT: 0013-GTR19171715-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171715-06Size:50 mg
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Description
Pimasertib
CAS Number
1236699-92-5
Product Name Alternative
AS 703026, AS703026, AS-703026, Mitogen-activated protein kinase kinase, MSC1936369B, inhibit, Inhibitor, MAPKK, MEK, MEK1/2 (MM cell line), MAP2K, Pimasertib, SAR245509, SAR-245509, SAR 245509
Field of Research
Signal Transduction
Purity
98.15% (May vary between batches)
Solubility
Ethanol:< 1 mg/mL (insoluble or slightly soluble) ; DMSO:45 mg/mL (104.36 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.64 mM)
Smiles
OC[C@@H] (O) CNC (=O) c1ccncc1Nc1ccc (I) cc1F
Molecular Formula
C15H15FIN3O3
Molecular Weight
431.2
Storage Conditions
-20°C
Notes
For research use only.

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
B1698-25Pimasertib
MBS384239-01AS703026 (Pimasertib)
MBS5813702Pimasertib HCl
C07828-5mgPimasertib (AS-703026)
HY-12042APimasertib (hydrochloride)
MBS131302AS703026(Pimasertib)

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