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HPK1-IN-56

CAT: 0804-HY-172107Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-172107Size:1 Each
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Description
HPK1-IN-56 (Compound A29) is a HPK1 inhibitor (IC50: 2.70 nM) . HPK1-IN-56 inhibits downstream p-SLP76 (IC50: 8.1 nM in Jurkat T cells) . HPK1-IN-56 induces the production of IL-2 in human PBMCs. HPK1-IN-56 has anticancer effect, enhances T-cell killing ability and the antitumor efficacy of anti-PD-1 antibody[1].
CAS Number
2901054-39-3
UNSPSC
12352005
Target
Interleukin Related; MAP4K
Related Pathways
Immunology/Inflammation; MAPK/ERK Pathway
Field of Research
Cancer; Inflammation/Immunology
Smiles
COC1=C(NC2=NN=C3C(N)=CC(C4=C(C)C(N)=CN=C4)=CC3=N2)C=C5CN(C)CCC5=C1
Molecular Formula
C24H26N8O
Molecular Weight
442.52
References & Citations
[1]Mao J, et al. Discovery of 1,2,4-benzotriazine derivatives as new hematopoietic progenitor kinase 1 (HPK1) inhibitors. Bioorg Chem. 2025 Jan 10;156:108158.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
MAP4K1/HPK1; MAP4K2/GCK; MAP4K3/GLK; MAP4K4/HGK; MAP4K5/KHS1; MAP4K6/MINK1

Chemical Information

Hpk1-IN-56
CAS Number2901054-39-3
PubChem CID172677467
IUPAC Name6-(5-amino-4-methyl-3-pyridinyl)-3-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2,4-benzotriazine-3,8-diamine
Molecular FormulaC24H26N8O
Molecular Weight442.5
XLogP1.9
Topological Polar Surface Area128
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity654
SMILES
CC1=C(C=NC=C1C2=CC(=C3C(=C2)N=C(N=N3)NC4=C(C=C5CCN(CC5=C4)C)OC)N)N
InChI
InChI=1S/C24H26N8O/c1-13-17(10-27-11-19(13)26)15-6-18(25)23-21(7-15)29-24(31-30-23)28-20-8-16-12-32(2)5-4-14(16)9-22(20)33-3/h6-11H,4-5,12,25-26H2,1-3H3,(H,28,29,31)
InChIKey
SGIJKFYPGQYIEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hpk1-IN-56
CAS: 2901054-39-3
CID: 172677467
Formula: C24H26N8O
MW: 442.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.5
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass442.22295748
Monoisotopic Mass442.22295748
Topological Polar Surface Area128 Ų
Heavy Atom Count33
Formal Charge0
Complexity654
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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