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ICRF-196

CAT: 0013-GTR19210139-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210139-01Size:50 mg
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Description
ICRF-196 is a cell-permeable bisdioxopiperazine compound that acts as a catalytic inhibitor of DNA topoisomerase II. It is utilized in cancer research to study cell cycle arrest, apoptosis, and has demonstrated antitumor activity in various in vitro and in vivo experimental models.
CAS Number
21416-68-2
Field of Research
Molecular Biology
Smiles
C (C (C) N1CC (=O) NC (=O) C1) (C) N2CC (=O) NC (=O) C2
Molecular Formula
C12H18N4O4
Molecular Weight
282.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4,4'-(1,2-Dimethyl-1,2-ethanediyl)bis-2,6-piperazinedione

structure given in first source; RN given refers to cpd without isomeric designation

CAS Number21416-68-2
PubChem CID115150
IUPAC Name4-[3-(3,5-dioxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
Molecular FormulaC12H18N4O4
Molecular Weight282.30
XLogP-1
Topological Polar Surface Area98.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity390
SMILES
CC(C(C)N1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2
InChI
InChI=1S/C12H18N4O4/c1-7(15-3-9(17)13-10(18)4-15)8(2)16-5-11(19)14-12(20)6-16/h7-8H,3-6H2,1-2H3,(H,13,17,18)(H,14,19,20)
InChIKey
OBYGAPWKTPDTAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-(1,2-Dimethyl-1,2-ethanediyl)bis-2,6-piperazinedione
CAS: 21416-68-2
CID: 115150
Formula: C12H18N4O4
MW: 282.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.30
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass282.13280507
Monoisotopic Mass282.13280507
Topological Polar Surface Area98.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity390
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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