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KIM-161

CAT: 0013-GTR19257966-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19257966-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KIM-161 is a PIK3CA inhibitor. It demonstrates significant antiproliferative activity, with IC50 values of 1.428 and 1.562 μM against PI3KCA-mutant breast cancer cell lines MCF7 and T47D, respectively. KIM-161 induces apoptosis and cell cycle arrest by inhibiting the PI3K/AKT/mTOR signaling pathway, leading to ROS production. It is applicable for research on breast cancer and its PI3KCA-mutant subtypes.
CAS Number
2559686-28-9
Field of Research
Cell Biology, Immunology & Inflammation, Metabolism Research, Signal Transduction
Smiles
O=C\1N (C (C) =N/C1=C\C2=CC=C (OC) C=C2) C3=CC=C (CC (NCC4=CC=CC=C4) =O) C=C3
Molecular Formula
C27H25N3O3
Molecular Weight
439.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(Z)-N-Benzyl-2-(4-(4-(4-methoxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1 h-imidazol-1-yl)phenyl)acetamide
CAS Number2559686-28-9
PubChem CID155299236
IUPAC NameN-benzyl-2-[4-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]phenyl]acetamide
Molecular FormulaC27H25N3O3
Molecular Weight439.5
XLogP3.7
Topological Polar Surface Area71
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity740
SMILES
CC1=N/C(=C\C2=CC=C(C=C2)OC)/C(=O)N1C3=CC=C(C=C3)CC(=O)NCC4=CC=CC=C4
InChI
InChI=1S/C27H25N3O3/c1-19-29-25(16-20-10-14-24(33-2)15-11-20)27(32)30(19)23-12-8-21(9-13-23)17-26(31)28-18-22-6-4-3-5-7-22/h3-16H,17-18H2,1-2H3,(H,28,31)/b25-16-
InChIKey
ACFNSNRMICDEJG-XYGWBWBKSA-N
Chemical Structure
2D Structure
2D structure of (Z)-N-Benzyl-2-(4-(4-(4-methoxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1 h-imidazol-1-yl)phenyl)acetamide
CAS: 2559686-28-9
CID: 155299236
Formula: C27H25N3O3
MW: 439.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.5
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass439.18959167
Monoisotopic Mass439.18959167
Topological Polar Surface Area71 Ų
Heavy Atom Count33
Formal Charge0
Complexity740
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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