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Anticancer agent 99

CAT: 0931-T72487-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T72487-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2914922-83-9
Target
Others, Apoptosis
Related Pathways
Others, Apoptosis
Bioactivity
Anticancer agent 99 exhibits potent anticancer activity towards HepG2 cells, evidenced by an IC50 value of 35.9 μM. It effectively induces apoptosis and inhibits cell proliferation.
Smiles
C(=NNC(=O)C1=CC=C(NCCCC)C=C1)C2=C(OC(F)(F)F)C=CC=C2
Molecular Formula
C19H20F3N3O2
Molecular Weight
379.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Anticancer agent 99
CAS Number2914922-83-9
PubChem CID168006885
IUPAC Name4-(butylamino)-N-[(E)-[2-(trifluoromethoxy)phenyl]methylideneamino]benzamide
Molecular FormulaC19H20F3N3O2
Molecular Weight379.4
XLogP5.2
Topological Polar Surface Area62.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity477
SMILES
CCCCNC1=CC=C(C=C1)C(=O)N/N=C/C2=CC=CC=C2OC(F)(F)F
InChI
InChI=1S/C19H20F3N3O2/c1-2-3-12-23-16-10-8-14(9-11-16)18(26)25-24-13-15-6-4-5-7-17(15)27-19(20,21)22/h4-11,13,23H,2-3,12H2,1H3,(H,25,26)/b24-13+
InChIKey
ZPFPBPOARCUZHQ-ZMOGYAJESA-N
Chemical Structure
2D Structure
2D structure of Anticancer agent 99
CAS: 2914922-83-9
CID: 168006885
Formula: C19H20F3N3O2
MW: 379.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.4
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass379.15076138
Monoisotopic Mass379.15076138
Topological Polar Surface Area62.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity477
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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