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PIKfyve-IN-2

CAT: 0804-HY-154956-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-154956-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PIKfyve-IN-2 is a potent PIKfyve kinase inhibitor and can be used for cancers, autoimmune disorders research[1].
CAS Number
2245319-25-7
UNSPSC
12352005
Target
PIKfyve
Type
Reference compound
Related Pathways
PI3K/Akt/mTOR
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/pikfyve-in-2.html
Purity
98.0
Solubility
DMSO : 1.67 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
CC1=CC=CC(/C=N/NC2=NC3=NC(C4=CC=NC=C4)=NN3C(N5CCOCC5)=C2)=C1
Molecular Formula
C22H22N8O
Molecular Weight
414.46
References & Citations
[1]Sergei Romanov, et al. Fused triazolo-pyrimidine compounds having useful pharmaceutical application. Patent WO2018175906A1.
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

PIKfyve-IN-2
CAS Number2245319-25-7
PubChem CID135338455
IUPAC NameN-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine
Molecular FormulaC22H22N8O
Molecular Weight414.5
XLogP3.1
Topological Polar Surface Area92.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity594
SMILES
CC1=CC(=CC=C1)/C=N/NC2=NC3=NC(=NN3C(=C2)N4CCOCC4)C5=CC=NC=C5
InChI
InChI=1S/C22H22N8O/c1-16-3-2-4-17(13-16)15-24-27-19-14-20(29-9-11-31-12-10-29)30-22(25-19)26-21(28-30)18-5-7-23-8-6-18/h2-8,13-15H,9-12H2,1H3,(H,25,26,27,28)/b24-15+
InChIKey
AJGYMQGRBICUPO-BUVRLJJBSA-N
Chemical Structure
2D Structure
2D structure of PIKfyve-IN-2
CAS: 2245319-25-7
CID: 135338455
Formula: C22H22N8O
MW: 414.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.5
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass414.19165736
Monoisotopic Mass414.19165736
Topological Polar Surface Area92.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity594
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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