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MAPK-IN-5

CAT: 0013-GTR19264155-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264155-02Size:50 mg
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Description
MAPK-IN-5 is a potent inhibitor of MAPK, with an IC50 value of 1.35 μM in HeLa cells. It induces ROS-mediated DNA damage and mitochondrial apoptosis (apoptosis) via the MAPK pathway. MAPK-IN-5 significantly inhibits colony formation in HeLa cells, reduces viable cell numbers, suppresses cell migration, and arrests the cell cycle at the G2/M phase. It is applicable in cervical cancer research.
CAS Number
2579683-39-7
Field of Research
Cell Biology, Epigenetics & Chromatin, Immunology & Inflammation, Molecular Biology, Protein Biochemistry, Signal Transduction
Smiles
FC (F) (F) C1=CC=C (C=C1) CN2N=NC (=C2) C=3C=CC=C (C3) NC=4N=CN=C5C=C (OCCOC) C (OCCOC) =CC54
Molecular Formula
C30H29F3N6O4
Molecular Weight
594.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6,7-bis(2-methoxyethoxy)-N-[3-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]phenyl]quinazolin-4-amine
CAS Number2579683-39-7
PubChem CID178203385
IUPAC Name6,7-bis(2-methoxyethoxy)-N-[3-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]phenyl]quinazolin-4-amine
Molecular FormulaC30H29F3N6O4
Molecular Weight594.6
XLogP5
Topological Polar Surface Area105
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count13
Heavy Atom Count43
Formal Charge0
Complexity823
SMILES
COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C4=CN(N=N4)CC5=CC=C(C=C5)C(F)(F)F)OCCOC
InChI
InChI=1S/C30H29F3N6O4/c1-40-10-12-42-27-15-24-25(16-28(27)43-13-11-41-2)34-19-35-29(24)36-23-5-3-4-21(14-23)26-18-39(38-37-26)17-20-6-8-22(9-7-20)30(31,32)33/h3-9,14-16,18-19H,10-13,17H2,1-2H3,(H,34,35,36)
InChIKey
RZBWVVQBADDQGM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,7-bis(2-methoxyethoxy)-N-[3-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]phenyl]quinazolin-4-amine
CAS: 2579683-39-7
CID: 178203385
Formula: C30H29F3N6O4
MW: 594.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight594.6
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count13
Exact Mass594.22023791
Monoisotopic Mass594.22023791
Topological Polar Surface Area105 Ų
Heavy Atom Count43
Formal Charge0
Complexity823
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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