GNF6702

CAT: 0804-HY-120060-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-120060-03Size:25 mg

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Description

GNF6702 is a selective inhibitor of the kinetoplastid proteasome. GNF6702 clears parasites in murine models of leishmaniasis, Chagas disease, and human African trypanosomiasis[1].

CAS Number

1799329-72-8

UNSPSC

12352005

Hazard Statement

H302, H312, H332

Target

Parasite

Type

Reference compound

Related Pathways

Anti-infection

Applications

COVID-19-immunoregulation

Field of Research

Infection

Assay Protocol

https://www.medchemexpress.com/gnf6702.html

Purity

98.33

Solubility

DMSO : 10 mg/mL (ultrasonic; warming; heat to 80°C)

Smiles

O=C(C1=C(C)N=C(C)O1)NC2=CC=C(F)C(C3=NN4C=C(C5=NC=CC=C5)C=NC4=N3)=C2

Molecular Formula

C22H16FN7O2

Molecular Weight

429.41

Precautions

H302, H312, H332

References & Citations

[1]Nagle A, et al. Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases. J Med Chem. 2020;63 (19) :10773-10781.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Isoform

Leishmania; Trypanosoma

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 Number	1799329-72-8
PubChem CID	91810392
IUPAC Name	N-[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 Formula	C22H16FN7O2
Molecular Weight	429.4
XLogP	2.8
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	32
Formal Charge	0
Complexity	672

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

CAS: 1799329-72-8

CID: 91810392

Formula: C22H16FN7O2

MW: 429.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	429.4
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	429.13495094
Monoisotopic Mass	429.13495094
Topological Polar Surface Area	111 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	672
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MBS5805049	GNF6702

GNF6702

Chemical Information

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