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Nitracrine

CAT: 0013-GTR19203857-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203857-03Size:100 mg
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Description
Nitracrine is a hypoxia-selective 1-nitroacridine antitumor agent. It inhibits RNA synthesis and forms covalent, reversible DNA adducts, demonstrating cytotoxicity in vitro. This compound is used in cancer research to study hypoxia-targeting therapies and DNA-interactive agents.
CAS Number
4533-39-5
Field of Research
Cell Biology, Molecular Biology, Pharmacology & Drug Discovery
Smiles
N (CCCN (C) C) C=1C2=C (N=C3C1C=CC=C3) C=CC=C2N (=O) =O
Molecular Formula
C18H20N4O2
Molecular Weight
324.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nitracrine

Nitracrine is a member of acridines.

CAS Number4533-39-5
PubChem CID20628
IUPAC NameN',N'-dimethyl-N-(1-nitroacridin-9-yl)propane-1,3-diamine
Molecular FormulaC18H20N4O2
Molecular Weight324.4
XLogP3.7
Topological Polar Surface Area74
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity426
SMILES
CN(C)CCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C18H20N4O2/c1-21(2)12-6-11-19-18-13-7-3-4-8-14(13)20-15-9-5-10-16(17(15)18)22(23)24/h3-5,7-10H,6,11-12H2,1-2H3,(H,19,20)
InChIKey
YMVWGSQGCWCDGW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nitracrine
CAS: 4533-39-5
CID: 20628
Formula: C18H20N4O2
MW: 324.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.4
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass324.15862589
Monoisotopic Mass324.15862589
Topological Polar Surface Area74 Ų
Heavy Atom Count24
Formal Charge0
Complexity426
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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