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CPT-Se4

CAT: 0013-GTR19212125-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212125-02Size:50 mg
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Description
CPT-Se4 is a selenium-modified camptothecin derivative that potently induces apoptosis in cancer cells by disrupting redox balance, elevating ROS, and depleting glutathione. It demonstrates broad cytotoxicity in vitro against multiple cancer cell lines, including HeLa and Hep G2, with IC50 values in the low micromolar range, supporting its investigation as an antitumor agent.
CAS Number
2968315-03-7
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) OCC[Se][Se]CCO
Molecular Formula
C25H24N2O7Se2
Molecular Weight
622.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CPT-Se4
CAS Number2968315-03-7
PubChem CID162679308
IUPAC Name[(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] 2-(2-hydroxyethyldiselanyl)ethyl carbonate
Molecular FormulaC25H24N2O7Se2
Molecular Weight622.4
Topological Polar Surface Area115
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count36
Formal Charge0
Complexity970
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)OCC[Se][Se]CCO
InChI
InChI=1S/C25H24N2O7Se2/c1-2-25(34-24(31)32-8-10-36-35-9-7-28)18-12-20-21-16(11-15-5-3-4-6-19(15)26-21)13-27(20)22(29)17(18)14-33-23(25)30/h3-6,11-12,28H,2,7-10,13-14H2,1H3/t25-/m0/s1
InChIKey
KYYSBBRCMDNDAW-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of CPT-Se4
CAS: 2968315-03-7
CID: 162679308
Formula: C25H24N2O7Se2
MW: 622.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight622.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass623.99139
Monoisotopic Mass623.99139
Topological Polar Surface Area115 Ų
Heavy Atom Count36
Formal Charge0
Complexity970
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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