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HPK1-IN-54

CAT: 0804-HY-159905Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-159905Size:1 Each
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Description
HPK1-IN-54 is a potent HPK1 (Hematopoietic Progenitor Kinase 1) inhibitor that enhances T cell activation and proliferation by inhibiting HPK1 activity, thereby exhibiting antitumor effects. Its IC50 value against HPK1 is 2.67 nM, with excellent selectivity over the MAP4K family (>100-fold) and other selected kinases (>300-fold). HPK1-IN-54 displayed moderate in vivo clearance and reasonable oral exposure in mice and rats. Additionally, HPK1-IN-54 demonstrated strong antitumor efficacy in a CT26 murine colon cancer model and synergistic effects when combined with anti-PD-1. HPK1-IN-54 shows promise for research in the field of immunotherapy[1].
CAS Number
3048537-48-7
UNSPSC
12352005
Target
MAP4K
Type
Reference compound
Related Pathways
MAPK/ERK Pathway
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/hpk1-in-54.html
Smiles
FC1=CC2=NC=C(N2C=C1)C3=C(CNC4=O)C4=C(NC5=CC=C(C67CCOCC7)C(CN6CCN8CCOCC8)=N5)C=C3
Molecular Formula
C32H34FN7O3
Molecular Weight
583.66
References & Citations
[1]Peng J, et al. Design, Synthesis, and Biological Evaluation of a Series of Spiro Analogues as Novel HPK1 Inhibitors. ACS Med Chem Lett. 2024 Oct 30;15 (11) :2032-2041.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-(7-Fluoroimidazo[1,2-a]pyridin-3-yl)-7-((6'-(2-morpholinoethyl)-2,3,5,6,6',7'-hexahydrospiro[pyran-4,5'-pyrrolo[3,4-b]pyridin]-2'-yl)amino)isoindolin-1-one
CAS Number3048537-48-7
PubChem CID172677319
IUPAC Name4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(2-morpholin-4-ylethyl)spiro[7H-pyrrolo[3,4-b]pyridine-5,4'-oxane]-2-yl]amino]-2,3-dihydroisoindol-1-one
Molecular FormulaC32H34FN7O3
Molecular Weight583.7
XLogP2.5
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count43
Formal Charge0
Complexity996
SMILES
C1COCCC12C3=C(CN2CCN4CCOCC4)N=C(C=C3)NC5=C6C(=C(C=C5)C7=CN=C8N7C=CC(=C8)F)CNC6=O
InChI
InChI=1S/C32H34FN7O3/c33-21-5-8-40-27(19-34-29(40)17-21)22-1-3-25(30-23(22)18-35-31(30)41)36-28-4-2-24-26(37-28)20-39(32(24)6-13-42-14-7-32)10-9-38-11-15-43-16-12-38/h1-5,8,17,19H,6-7,9-16,18,20H2,(H,35,41)(H,36,37)
InChIKey
IXODLXIXCSDAQS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(7-Fluoroimidazo[1,2-a]pyridin-3-yl)-7-((6'-(2-morpholinoethyl)-2,3,5,6,6',7'-hexahydrospiro[pyran-4,5'-pyrrolo[3,4-b]pyridin]-2'-yl)amino)isoindolin-1-one
CAS: 3048537-48-7
CID: 172677319
Formula: C32H34FN7O3
MW: 583.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight583.7
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass583.27071613
Monoisotopic Mass583.27071613
Topological Polar Surface Area96.3 Ų
Heavy Atom Count43
Formal Charge0
Complexity996
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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