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S39625

CAT: 0013-GTR19197179-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197179-01Size:50 mg
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Description
S39625 is a stable, potent, and selective topoisomerase I inhibitor that evades drug efflux transporters. It induces persistent DNA damage (γ-H2AX) and Top1 cleavage complexes at nanomolar concentrations, demonstrating potent antiproliferative activity in cancer cell lines, supporting its investigation as an anticancer agent in both in vitro and in vivo research.
CAS Number
536711-20-3
Field of Research
Molecular Biology
Smiles
O=C1N2CC=3C (C2=CC4=C1CC (=O) C4 (CC) O) =NC=5C (C3C6CCC6) =CC7=C (C5) OCO7
Molecular Formula
C25H22N2O5
Molecular Weight
430.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Cyclobutyl-17-ethyl-17-hydroxy-6,8-dioxa-12,22-diazahexacyclo[11.10.0.03,11.05,9.014,22.016,20]tricosa-1,3,5(9),10,12,14,16(20)-heptaene-18,21-dione
CAS Number536711-20-3
PubChem CID22745042
IUPAC Name2-cyclobutyl-17-ethyl-17-hydroxy-6,8-dioxa-12,22-diazahexacyclo[11.10.0.03,11.05,9.014,22.016,20]tricosa-1,3,5(9),10,12,14,16(20)-heptaene-18,21-dione
Molecular FormulaC25H22N2O5
Molecular Weight430.5
XLogP2.3
Topological Polar Surface Area89
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count32
Formal Charge0
Complexity954
SMILES
CCC1(C(=O)CC2=C1C=C3C4=NC5=CC6=C(C=C5C(=C4CN3C2=O)C7CCC7)OCO6)O
InChI
InChI=1S/C25H22N2O5/c1-2-25(30)16-8-18-23-15(10-27(18)24(29)13(16)7-21(25)28)22(12-4-3-5-12)14-6-19-20(32-11-31-19)9-17(14)26-23/h6,8-9,12,30H,2-5,7,10-11H2,1H3
InChIKey
BSNSKRNANVCWQN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Cyclobutyl-17-ethyl-17-hydroxy-6,8-dioxa-12,22-diazahexacyclo[11.10.0.03,11.05,9.014,22.016,20]tricosa-1,3,5(9),10,12,14,16(20)-heptaene-18,21-dione
CAS: 536711-20-3
CID: 22745042
Formula: C25H22N2O5
MW: 430.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.5
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass430.15287181
Monoisotopic Mass430.15287181
Topological Polar Surface Area89 Ų
Heavy Atom Count32
Formal Charge0
Complexity954
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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