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Deoxynybomycin

CAT: 0931-T27147-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T27147-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
27259-98-9
Target
Apoptosis, Others, DNA/RNA Synthesis, Topoisomerase, Antibacterial, Antibiotic
Related Pathways
Microbiology/Virology, Apoptosis, Others, DNA Damage/DNA Repair, Cell Cycle/Checkpoint
Bioactivity
Deoxynybomycin, a selective anti-tumor agent, inhibits topoisomerase I and induces apoptosis.
Smiles
Cc1cc(=O)n2COc3c2c1cc1c(C)cc(=O)n(C)c31
Molecular Formula
C16H14N2O3
Molecular Weight
282.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Deoxynybomycin

Deoxynybomycin is a member of quinolines.

CAS Number27259-98-9
PubChem CID168675
IUPAC Name3,6,10-trimethyl-15-oxa-3,13-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,5,7,9(16),10-pentaene-4,12-dione
Molecular FormulaC16H14N2O3
Molecular Weight282.29
XLogP0.8
Topological Polar Surface Area49.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity594
SMILES
CC1=CC(=O)N(C2=C3C4=C(C=C12)C(=CC(=O)N4CO3)C)C
InChI
InChI=1S/C16H14N2O3/c1-8-4-12(19)17(3)14-10(8)6-11-9(2)5-13(20)18-7-21-16(14)15(11)18/h4-6H,7H2,1-3H3
InChIKey
SBTFHJGTXHMDPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Deoxynybomycin
CAS: 27259-98-9
CID: 168675
Formula: C16H14N2O3
MW: 282.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.29
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass282.10044231
Monoisotopic Mass282.10044231
Topological Polar Surface Area49.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity594
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

Alternative Products

CatalogName
MBS5776869Deoxynybomycin

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