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PZ-2891

CAT: 0804-HY-124634-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-124634-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PZ-2891 is an orally bioavailable, brain penetrant pantothenate kinase (PANK) modulator. PZ-2891 act as an orthosteric inhibitor at high concentrations and an allosteric activator at lower sub-saturating concentrations. PZ-2891 inhibits human pantothenate kinases PANK1β, PANK2, and PANK3 with IC50s of 40.2 nM, 0.7 nM and 1.3 nM, respectively[1].
CAS Number
2170608-82-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
PANK
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/PZ-2891.html
Purity
99.68
Solubility
DMSO : 75 mg/mL (ultrasonic)
Smiles
N#CC1=NN=C(N2CCN(C(CC3=CC=C(C(C)C)C=C3)=O)CC2)C=C1
Molecular Formula
C20H23N5O
Molecular Weight
349.43
Precautions
H302, H315, H319, H335
References & Citations
[1]Sharma LK, et al. A therapeutic approach to pantothenate kinase associated neurodegeneration. Nat Commun. 2018 Oct 23;9 (1) :4399.
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

6-(4-(2-(4-Isopropylphenyl)acetyl)piperazin-1-yl)pyridazine-3-carbonitrile
CAS Number2170608-82-7
PubChem CID132260806
IUPAC Name6-[4-[2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
Molecular FormulaC20H23N5O
Molecular Weight349.4
XLogP2.3
Topological Polar Surface Area73.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity512
SMILES
CC(C)C1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NN=C(C=C3)C#N
InChI
InChI=1S/C20H23N5O/c1-15(2)17-5-3-16(4-6-17)13-20(26)25-11-9-24(10-12-25)19-8-7-18(14-21)22-23-19/h3-8,15H,9-13H2,1-2H3
InChIKey
LGWDVWIZDPGCFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(4-(2-(4-Isopropylphenyl)acetyl)piperazin-1-yl)pyridazine-3-carbonitrile
CAS: 2170608-82-7
CID: 132260806
Formula: C20H23N5O
MW: 349.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.4
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass349.19026037
Monoisotopic Mass349.19026037
Topological Polar Surface Area73.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity512
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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