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HPK1-IN-56

CAT: 0931-T204758-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T204758-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2901054-39-3
Target
Interleukin, MAPK
Related Pathways
Immunology/Inflammation, MAPK
Bioactivity
HPK1-IN-56 (Compound A29) is an HPK1 inhibitor with an IC50 of 2.70 nM. It inhibits downstream p-SLP76 in Jurkat T cells with an IC50 of 8.1 nM. Additionally, HPK1-IN-56 induces IL-2 production in human PBMCs. This compound exhibits anticancer properties, enhancing T cell cytotoxicity and the antitumor efficacy of anti-PD-1 antibodies.
Smiles
N1=NC=2C(N=C1NC=3C=C4C(=CC3OC)CCN(C)C4)=CC(=CC2N)C=5C=NC=C(N)C5C
Molecular Formula
C24H26N8O
Molecular Weight
442.516
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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