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M443

CAT: 0013-GTR19203592Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203592Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
M443 is a potent and selective MRK inhibitor that blocks radiation-induced p38 and Chk2 activation. This small molecule is a valuable research tool for investigating DNA damage response pathways and has been utilized in both in vitro and in vivo cancer research models.
CAS Number
1820684-31-8
Field of Research
Cell Biology, Signal Transduction
Purity
98.95% (May vary between batches)
Smiles
Cc1cn (cn1) -c1cc (NC (=O) c2ccc (C) c (Nc3nccc (n3) C3CCCN (C3) C (=O) C=C) c2) cc (c1) C (F) (F) F
Molecular Formula
C31H30F3N7O2
Molecular Weight
589.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(1-prop-2-enoylpiperidin-3-yl)pyrimidin-2-yl]amino]benzamide
CAS Number1820684-31-8
PubChem CID92042851
IUPAC Name4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(1-prop-2-enoylpiperidin-3-yl)pyrimidin-2-yl]amino]benzamide
Molecular FormulaC31H30F3N7O2
Molecular Weight589.6
XLogP5
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count43
Formal Charge0
Complexity984
SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5CCCN(C5)C(=O)C=C
InChI
InChI=1S/C31H30F3N7O2/c1-4-28(42)40-11-5-6-22(17-40)26-9-10-35-30(38-26)39-27-12-21(8-7-19(27)2)29(43)37-24-13-23(31(32,33)34)14-25(15-24)41-16-20(3)36-18-41/h4,7-10,12-16,18,22H,1,5-6,11,17H2,2-3H3,(H,37,43)(H,35,38,39)
InChIKey
QAQFNUYJUCJMKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(1-prop-2-enoylpiperidin-3-yl)pyrimidin-2-yl]amino]benzamide
CAS: 1820684-31-8
CID: 92042851
Formula: C31H30F3N7O2
MW: 589.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight589.6
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass589.24130771
Monoisotopic Mass589.24130771
Topological Polar Surface Area105 Ų
Heavy Atom Count43
Formal Charge0
Complexity984
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
T15943-01M443
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A19696-10M443 10mg
A19696-50M443 50mg
A19696-100M443 100mg
A19696-5M443 5mg
A19696-1M443 1mg
A19696-10mM-DM443 10mM * 1mL in DMSO

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