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GNF6702

CAT: 0931-T62362-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T62362-01Size:25 mg
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CAS Number
1799329-72-8
Target
Others, Parasite
Related Pathways
Microbiology/Virology, Others
Bioactivity
GNF6702 is a selective inhibitor of the kinetoplastid proteasome, demonstrating efficacy against parasites in mouse models of leishmaniasis, Chagas disease, and human African trypanosomiasis.
Smiles
FC=1C(C2=NN3C(=N2)N=CC(=C3)C4=CC=CC=N4)=CC(NC(=O)C=5OC(C)=NC5C)=CC1
Molecular Formula
C22H16FN7O2
Molecular Weight
429.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Gnf-6702

GNF6702 is an aromatic amide obtained by formal condensation of the carboxy group of 2,4-dimethyl-1,3-oxazole-5-carboxylic acid with the aromatic amino group of 4-fluoro-3-[6-(pyridin-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]aniline. A proteasome inhibitor known to be active against the three parasites that cause Chagas disease, leishmaniasis and sleeping sickness. It has a role as a proteasome inhibitor and an antileishmanial agent. It is a member of pyridines, a ring assembly, a member of 1,3-oxazoles, a member of triazolopyrimidines, an aromatic amide and a member of monofluorobenzenes.

CAS Number1799329-72-8
PubChem CID91810392
IUPAC NameN-[4-fluoro-3-(6-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
Molecular FormulaC22H16FN7O2
Molecular Weight429.4
XLogP2.8
Topological Polar Surface Area111
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity672
SMILES
CC1=C(OC(=N1)C)C(=O)NC2=CC(=C(C=C2)F)C3=NN4C=C(C=NC4=N3)C5=CC=CC=N5
InChI
InChI=1S/C22H16FN7O2/c1-12-19(32-13(2)26-12)21(31)27-15-6-7-17(23)16(9-15)20-28-22-25-10-14(11-30(22)29-20)18-5-3-4-8-24-18/h3-11H,1-2H3,(H,27,31)
InChIKey
WXZFCGRYVWYYTG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gnf-6702
CAS: 1799329-72-8
CID: 91810392
Formula: C22H16FN7O2
MW: 429.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight429.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass429.13495094
Monoisotopic Mass429.13495094
Topological Polar Surface Area111 Ų
Heavy Atom Count32
Formal Charge0
Complexity672
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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