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Anticancer agent 168

CAT: 0013-GTR19217710-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19217710-01Size:5 mg
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Description
Compound D16 (Anticancer agent 168) is a DNA2 inhibitor that triggers S-phase cell-cycle arrest and apoptosis. It demonstrates anticancer efficacy and can overcome chemotherapy resistance in cancers harboring mutant p53.
CAS Number
207399-56-2
Field of Research
Cell Biology, Molecular Biology
Smiles
CCN1C=C (C (O) =O) C (=O) C2=C1C=C (Cl) C (=C2) C1=CC=C (O1) [N+] ([O-]) =O
Molecular Formula
C16H11ClN2O6
Molecular Weight
362.72
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Anticancer agent 168
CAS Number207399-56-2
PubChem CID1423924
IUPAC Name7-chloro-1-ethyl-6-(5-nitrofuran-2-yl)-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC16H11ClN2O6
Molecular Weight362.72
XLogP3.9
Topological Polar Surface Area117
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity618
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)Cl)C3=CC=C(O3)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C16H11ClN2O6/c1-2-18-7-10(16(21)22)15(20)9-5-8(11(17)6-12(9)18)13-3-4-14(25-13)19(23)24/h3-7H,2H2,1H3,(H,21,22)
InChIKey
DWXHUDQJCDWIQM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anticancer agent 168
CAS: 207399-56-2
CID: 1423924
Formula: C16H11ClN2O6
MW: 362.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.72
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass362.0305638
Monoisotopic Mass362.0305638
Topological Polar Surface Area117 Ų
Heavy Atom Count25
Formal Charge0
Complexity618
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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