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APS-2-79

CAT: 0607-B7820-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B7820-10Size:10 mg
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Description
KSR-dependent MAPK modulator
CAS Number
2002381-31-7
Product Name Alternative
6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine hydrochloride
Field of Research
MAPK Signaling RSK
Purity
0.98
Solubility
Soluble in DMSO
Smiles
CC1=CC(OC2=CC=CC=C2)=CC=C1NC3=C4C=C(OC)C(OC)=CC4=NC=N3.[H]Cl
Molecular Formula
C23H22ClN3O3
Molecular Weight
423.89
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Aps-2-79

modulates KSR-dependent MAPK signaling; structure in first source

CAS Number2002381-31-7
PubChem CID122177134
IUPAC Name6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine;hydrochloride
Molecular FormulaC23H22ClN3O3
Molecular Weight423.9
Topological Polar Surface Area65.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity502
SMILES
CC1=C(C=CC(=C1)OC2=CC=CC=C2)NC3=NC=NC4=CC(=C(C=C43)OC)OC.Cl
InChI
InChI=1S/C23H21N3O3.ClH/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);1H
InChIKey
LIXKSHWZJNNZHG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aps-2-79
CAS: 2002381-31-7
CID: 122177134
Formula: C23H22ClN3O3
MW: 423.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass423.1349693
Monoisotopic Mass423.1349693
Topological Polar Surface Area65.5 Ų
Heavy Atom Count30
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 Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-100627-01APS-2-79
T6760-01APS-2-79 hydrochloride
S8355-100mgAPS-2-79 HCl
A16231-100APS-2-79 100mg
A16231-5APS-2-79 5mg

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