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CPT-Se4

CAT: 0804-HY-145291Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-145291Size:1 Each
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Description
CPT-Se4, a selenoproagent of Camptothecin (CPT), shows improved potency in killing cancer cells and inhibiting tumor growth. CPT-Se4 decreases the GSH/GSSG ratio and total thiols, elevates the ROS level in Hep G2 cells, and eventually induces apoptosis of cancer cells. CPT-Se4 shows cytotoxicity against HeLa, Hep G2, A549, and SMMC-7721 cells (IC50= 2.54-6.4 μM) [1].
CAS Number
2968315-03-7
UNSPSC
12352005
Target
Apoptosis; Topoisomerase
Type
Reference compound
Related Pathways
Apoptosis; Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/cpt-se4.html
Solubility
10 mM in DMSO
Smiles
O=C(O[C@]1(C2=C(COC1=O)C(N(C3=C2)CC4=C3N=C5C(C=CC=C5)=C4)=O)CC)OCC[Se][Se]CCO
Molecular Formula
C25H24N2O7Se2
Molecular Weight
622.39
References & Citations
[1]Zhao J, et al. Integration of a Diselenide Unit Generates Fluorogenic Camptothecin Prodrugs with Improved Cytotoxicity to Cancer Cells. J Med Chem. 2021;64 (24) :17979-17991.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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