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GNE-3511

CAT: 0804-HY-12947-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-12947-01Size:5 mg
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Description
GNE-3511 is an orally active bioavailable and brain-penetrant dual leucine zipper kinase (DLK) inhibitor with a Ki of 0.5 nM. GNE-3511 can cross the blood-brain-barrier and can be used for the research of neurodegenerative diseases[1].
CAS Number
1496581-76-0
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
MAP3K
Type
Reference compound
Related Pathways
MAPK/ERK Pathway
Applications
Cancer-Kinase/protease
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/GNE-3511.html
Purity
99.54
Solubility
DMSO : 31.25 mg/mL (ultrasonic)
Smiles
N#CC1=CC=NC(NC2=NC(N3CC(F)(F)CC3)=CC(C4CCN(C5COC5)CC4)=C2)=C1
Molecular Formula
C23H26F2N6O
Molecular Weight
440.49
Precautions
H302, H315, H319, H335
References & Citations
[1]Patel S et al. Discovery of dual leucine zipper kinase (DLK, MAP3K12) inhibitors with activity in neurodegeneration models. J Med Chem. 2015 Jan 8;58 (1) :401-18.|[2]Chen Jiang, et al. Neuronal Dual Leucine Zipper Kinase Mediates Inflammatory and Nociceptive Responses in Cyclophosphamide-Induced Cystitis. J Innate Immun
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Gne-3511

GNE-3511 is an inhibitor.

CAS Number1496581-76-0
PubChem CID72547959
IUPAC Name2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile
Molecular FormulaC23H26F2N6O
Molecular Weight440.5
XLogP3.2
Topological Polar Surface Area77.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity689
SMILES
C1CN(CCC1C2=CC(=NC(=C2)N3CCC(C3)(F)F)NC4=NC=CC(=C4)C#N)C5COC5
InChI
InChI=1S/C23H26F2N6O/c24-23(25)4-8-31(15-23)22-11-18(17-2-6-30(7-3-17)19-13-32-14-19)10-21(29-22)28-20-9-16(12-26)1-5-27-20/h1,5,9-11,17,19H,2-4,6-8,13-15H2,(H,27,28,29)
InChIKey
RHFIAUKMKYHHFA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gne-3511
CAS: 1496581-76-0
CID: 72547959
Formula: C23H26F2N6O
MW: 440.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.5
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass440.21361580
Monoisotopic Mass440.21361580
Topological Polar Surface Area77.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity689
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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B1341-5GNE-3511
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