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GC-072

CAT: 0013-GTR19240921-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240921-02Size:50 mg
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Description
GC-072 is a 4-oxoquinolizine antibiotic that selectively inhibits bacterial topoisomerase, demonstrating in vitro activity against resistant B. pseudomallei and other select agents. In vivo murine studies show oral administration provides dose-dependent survival benefits in melioidosis models, supporting its research for novel antibacterial therapies against biothreat pathogens.
CAS Number
1371629-36-5
Smiles
O=C (O) C1=CC (=C2C (=C (C=CN2C1=O) C=3C=C (F) C (N) =CC3F) C) C4CC4
Molecular Formula
C20H16F2N2O3
Molecular Weight
370.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4H-Quinolizine-3-carboxylic acid, 8-(4-amino-2,5-difluorophenyl)-1-cyclopropyl-9-methyl-4-oxo-
CAS Number1371629-36-5
PubChem CID56960954
IUPAC Name8-(4-amino-2,5-difluorophenyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid
Molecular FormulaC20H16F2N2O3
Molecular Weight370.3
XLogP2.7
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity838
SMILES
CC1=C(C=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)C4=CC(=C(C=C4F)N)F
InChI
InChI=1S/C20H16F2N2O3/c1-9-11(13-7-16(22)17(23)8-15(13)21)4-5-24-18(9)12(10-2-3-10)6-14(19(24)25)20(26)27/h4-8,10H,2-3,23H2,1H3,(H,26,27)
InChIKey
DTVAKENDWITVNL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4H-Quinolizine-3-carboxylic acid, 8-(4-amino-2,5-difluorophenyl)-1-cyclopropyl-9-methyl-4-oxo-
CAS: 1371629-36-5
CID: 56960954
Formula: C20H16F2N2O3
MW: 370.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.3
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass370.11289870
Monoisotopic Mass370.11289870
Topological Polar Surface Area83.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity838
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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