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HPK1-IN-14

CAT: 0804-HY-145040Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-145040Size:1 Each
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Description
HPK1-IN-14 is potent inhibitor of HPK1. HPK1 is a serine/threonine protein kinase cloned from hematopoietic progenitor cells and belongs to the MAP4K family of mammalian Ste-20-related protein kinases. HPK1-IN-14 has the potential for the research of HPK1 related diseases (extracted from patent WO2021213317A1, compound 79) [1].
CAS Number
2734168-45-5
UNSPSC
12352005
Target
MAP4K
Type
Reference compound
Related Pathways
MAPK/ERK Pathway
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/hpk1-in-14.html
Solubility
10 mM in DMSO
Smiles
FC1=C(C2=NC3=C(NN=C3C4=CC(OCC5N6CCN(C5)C)=C6C=C4)C=N2)C(OC)=CC=C1
Molecular Formula
C24H23FN6O2
Molecular Weight
446.48
References & Citations
[1]Xie, Yuli, et al. Hpk1 inhibitor and preparation method and use thereof. Patent WO2021213317A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Hpk1-IN-14
CAS Number2734168-45-5
PubChem CID162679278
IUPAC Name8-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine
Molecular FormulaC24H23FN6O2
Molecular Weight446.5
XLogP3.1
Topological Polar Surface Area79.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity689
SMILES
CN1CCN2C(C1)COC3=C2C=CC(=C3)C4=NNC5=CN=C(N=C54)C6=C(C=CC=C6F)OC
InChI
InChI=1S/C24H23FN6O2/c1-30-8-9-31-15(12-30)13-33-20-10-14(6-7-18(20)31)22-23-17(28-29-22)11-26-24(27-23)21-16(25)4-3-5-19(21)32-2/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,28,29)
InChIKey
HHCQGJYRVGMNBT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hpk1-IN-14
CAS: 2734168-45-5
CID: 162679278
Formula: C24H23FN6O2
MW: 446.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.5
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass446.18665216
Monoisotopic Mass446.18665216
Topological Polar Surface Area79.4 Ų
Heavy Atom Count33
Formal Charge0
Complexity689
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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