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APS-2-79

CAT: 0931-T70004-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T70004-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2002381-25-9
Target
Others, MEK
Related Pathways
MAPK, Others
Bioactivity
APS-2-79, a KSR-dependent MEK antagonist, disrupts ATP (biotin) binding within the KSR2-MEK1 complex, achieving an inhibitory concentration (IC50) of 120 nM. This action stabilizes the KSR inactive state and antagonizes oncogenic Ras-MAPK signaling.
Smiles
COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3C)c2cc1OC
Molecular Formula
C23H21N3O3
Molecular Weight
387.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine
CAS Number2002381-25-9
PubChem CID121499159
IUPAC Name6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine
Molecular FormulaC23H21N3O3
Molecular Weight387.4
XLogP5.3
Topological Polar Surface Area65.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity502
SMILES
CC1=C(C=CC(=C1)OC2=CC=CC=C2)NC3=NC=NC4=CC(=C(C=C43)OC)OC
InChI
InChI=1S/C23H21N3O3/c1-15-11-17(29-16-7-5-4-6-8-16)9-10-19(15)26-23-18-12-21(27-2)22(28-3)13-20(18)24-14-25-23/h4-14H,1-3H3,(H,24,25,26)
InChIKey
PEKZLFZZBGBOPJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine
CAS: 2002381-25-9
CID: 121499159
Formula: C23H21N3O3
MW: 387.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.4
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass387.15829154
Monoisotopic Mass387.15829154
Topological Polar Surface Area65.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity502
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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Alternative Products

CatalogName
B7820-100APS-2-79
C18168-100mgAPS-2-79 HCl
CFD38131-01APS-2-79 hydrochloride
A16231-100APS-2-79 100mg
A16231-5APS-2-79 5mg

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