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Anticancer agent 235

CAT: 0931-T88484-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T88484-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2411108-21-7
Target
Reactive Oxygen Species, Akt, Apoptosis, PI3K
Related Pathways
PI3K/Akt/mTOR signaling, Metabolism, Cytoskeletal Signaling, Immunology/Inflammation, Apoptosis, NF-κB
Bioactivity
Anticanceragent 235 (Compound 49) functions as a modulator of the PI3K/AKT/mTOR signaling pathway, enhancing reactive oxygen species (ROS) production and reducing mitochondrial membrane potential, thereby inhibiting the proliferation of cancer cell lines HCT116, Caco-2, AGS, and SMMC-772 with IC50 values ranging from 0.35 to 26.9 μM. Additionally, it induces apoptosis and causes cell cycle arrest at the G2/M phase in HCT-116 cells.
Smiles
ClC1=CC=C2C(=C1)C=C3C(=NC=4C=C(OC)C=CC43)N2C
Molecular Formula
C17H13ClN2O
Molecular Weight
296.75
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Anticancer agent 235
CAS Number2411108-21-7
PubChem CID172419318
IUPAC Name2-chloro-8-methoxy-5-methylindolo[2,3-b]quinoline
Molecular FormulaC17H13ClN2O
Molecular Weight296.7
XLogP4.3
Topological Polar Surface Area27.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity393
SMILES
CN1C2=C(C=C(C=C2)Cl)C=C3C1=NC4=C3C=CC(=C4)OC
InChI
InChI=1S/C17H13ClN2O/c1-20-16-6-3-11(18)7-10(16)8-14-13-5-4-12(21-2)9-15(13)19-17(14)20/h3-9H,1-2H3
InChIKey
RJKACWUBQPTQCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anticancer agent 235
CAS: 2411108-21-7
CID: 172419318
Formula: C17H13ClN2O
MW: 296.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.7
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass296.0716407
Monoisotopic Mass296.0716407
Topological Polar Surface Area27.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity393
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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