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Nitracrine

CAT: 0931-T16327-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T16327-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4533-39-5
Target
Others, DNA/RNA Synthesis
Related Pathways
DNA Damage/DNA Repair, Cell Cycle/Checkpoint, Others
Bioactivity
Nitracrine is a 1-nitroacridine derivative and is an effective hypoxia-selective agent in vitro and antitumor drugs. Nitracrine suppresses RNA synthesis and covalently, reversibly binds to DNA but also forms covalent adducts with DNA in vivo. Nitracrine has cytotoxicity towards most cells.
Smiles
N(CCCN(C)C)C=1C2=C(N=C3C1C=CC=C3)C=CC=C2N(=O)=O
Molecular Formula
C18H20N4O2
Molecular Weight
324.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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