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CPT-Se3

CAT: 0013-GTR19212126-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212126-01Size:25 mg
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Description
CPT-Se3 is a camptothecin seleno-derivative that demonstrates potent anticancer activity in vitro by inducing oxidative stress and apoptosis in various cancer cell lines, including HeLa and Hep G2. Its mechanism involves depleting glutathione and elevating ROS levels, making it a candidate for investigating novel chemotherapeutic strategies.
CAS Number
2968315-02-6
Field of Research
Cell Biology, Molecular Biology
Smiles
CC[C@@]1 (C2=C (COC1=O) C (=O) N3CC4=CC5=CC=CC=C5N=C4C3=C2) OC (=O) OC6C[Se][Se]C6
Molecular Formula
C24H20N2O6Se2
Molecular Weight
590.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CPT-Se3
CAS Number2968315-02-6
PubChem CID162679307
IUPAC Namediselenolan-4-yl [(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] carbonate
Molecular FormulaC24H20N2O6Se2
Molecular Weight590.4
Topological Polar Surface Area95
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity977
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)OC6C[Se][Se]C6
InChI
InChI=1S/C24H20N2O6Se2/c1-2-24(32-23(29)31-15-11-33-34-12-15)17-8-19-20-14(7-13-5-3-4-6-18(13)25-20)9-26(19)21(27)16(17)10-30-22(24)28/h3-8,15H,2,9-12H2,1H3/t24-/m0/s1
InChIKey
OGFGREGYNYYCRD-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of CPT-Se3
CAS: 2968315-02-6
CID: 162679307
Formula: C24H20N2O6Se2
MW: 590.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight590.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass591.96518
Monoisotopic Mass591.96518
Topological Polar Surface Area95 Ų
Heavy Atom Count34
Formal Charge0
Complexity977
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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