CPT-Se3

CAT: 0931-T73421-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T73421-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2968315-02-6

Target

Apoptosis, Topoisomerase

Related Pathways

DNA Damage/DNA Repair, Apoptosis

Bioactivity

CPT-Se3, a camptothecin (CPT) seleno-derivative, exhibits enhanced anticancer efficacy by effectively killing cancer cells and hindering tumor proliferation. This compound diminishes the GSH/GSSG ratio and total thiols while increasing ROS levels, ultimately triggering apoptosis in Hep G2 cells. Furthermore, CPT-Se3 demonstrates significant cytotoxicity against HeLa, Hep G2, A549, and SMMC-7721 cell lines with IC50 values ranging from 2.19 to 4.7 μM [1].

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

CPT-Se3

CAS Number	2968315-02-6
PubChem CID	162679307
IUPAC Name	diselenolan-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 Formula	C24H20N2O6Se2
Molecular Weight	590.4
Topological Polar Surface Area	95
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	34
Formal Charge	0
Complexity	977

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

CAS: 2968315-02-6

CID: 162679307

Formula: C24H20N2O6Se2

MW: 590.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	590.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	591.96518
Monoisotopic Mass	591.96518
Topological Polar Surface Area	95 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	977
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Chemical Information

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