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MEK/PI3K-IN-2

CAT: 0931-T74361-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T74361-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2281803-33-4
Target
MEK, Others, PERK, PI3K
Related Pathways
Others, PI3K/Akt/mTOR signaling, Apoptosis, MAPK
Bioactivity
MEK/PI3K-IN-2 (compound 6s), a potent inhibitor of both MEK and PI3K, demonstrates IC50 values of 352 nM (MEK1), 107 nM (PI3Kα), and 137 nM (PI3Kδ), effectively reducing pAKT and pERK1/2 levels and exhibiting anti-proliferative activity against various tumor cell lines [1].
Smiles
OCCN(CCOCCOCCOCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
Molecular Formula
C38H41F5IN9O7
Molecular Weight
957.68
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mek/PI3K-IN-2
CAS Number2281803-33-4
PubChem CID163408818
IUPAC NameN-[2-[2-[2-[2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
Molecular FormulaC38H41F5IN9O7
Molecular Weight957.7
XLogP5.6
Topological Polar Surface Area170
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count19
Rotatable Bond Count22
Heavy Atom Count60
Formal Charge0
Complexity1270
SMILES
C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N(CCO)CCOCCOCCOCCONC(=O)C5=C(C(=C(C=C5)F)F)NC6=C(C=C(C=C6)I)F
InChI
InChI=1S/C38H41F5IN9O7/c39-26-7-6-25(32(31(26)41)45-28-8-5-24(44)23-27(28)40)35(55)50-60-22-21-59-20-19-58-18-17-57-16-10-51(9-13-54)36-47-37(52-11-14-56-15-12-52)49-38(48-36)53-30-4-2-1-3-29(30)46-34(53)33(42)43/h1-8,23,33,45,54H,9-22H2,(H,50,55)
InChIKey
VAPPIXLSHDYSCY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mek/PI3K-IN-2
CAS: 2281803-33-4
CID: 163408818
Formula: C38H41F5IN9O7
MW: 957.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight957.7
XLogP35.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count19
Rotatable Bond Count22
Exact Mass957.20938
Monoisotopic Mass957.20938
Topological Polar Surface Area170 Ų
Heavy Atom Count60
Formal Charge0
Complexity1270
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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T60769-01COX-2/PI3K-IN-2
T201410-01MEK ligand-2
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Alternative Products

CatalogName
GTR19221304-01MEK/PI3K-IN-2
HY-144692MEK/PI3K-IN-1
M20551-01PI3Kδ-IN-2
HY-146789PI3Kδ/γ-IN-2
MBS576466PI3K-IN-2
323560-01MEK-2
GTR19212669-01PI3K/AKT-IN-2
GTR19258427-01(S) -PI3K-IN-2
HY-146159PI3K/HDAC-IN-2
HY-112286PI3Kγ inhibitor 2

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