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HPK1-IN-33

CAT: 0013-GTR19212353-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212353-01Size:25 mg
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Description
HPK1-IN-33 (compound 21) is a potent and selective HPK1 inhibitor with a K_i of 1.7 nM. It demonstrates functional activity by inhibiting IL-2 production in Jurkat WT cells (EC_50 = 286 nM), an effect absent in HPK1 KO cells. This inhibitor is a valuable tool for probing HPK1's role in T-cell signaling and immune regulation in both cellular and in vivo research contexts.
CAS Number
2920000-86-6
Field of Research
Signal Transduction
Smiles
N#Cc1cccc (-c2c (Cl) [nH]c3ncnc (N4CC[C@@H] (F) [C@@H] (N) C4) c23) c1
Molecular Formula
C18H16ClFN6
Molecular Weight
370.81
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Hpk1-IN-33
CAS Number2920000-86-6
PubChem CID168007152
IUPAC Name3-[4-[(3S,4R)-3-amino-4-fluoropiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
Molecular FormulaC18H16ClFN6
Molecular Weight370.8
XLogP3.1
Topological Polar Surface Area94.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity555
SMILES
C1CN(C[C@@H]([C@@H]1F)N)C2=NC=NC3=C2C(=C(N3)Cl)C4=CC=CC(=C4)C#N
InChI
InChI=1S/C18H16ClFN6/c19-16-14(11-3-1-2-10(6-11)7-21)15-17(25-16)23-9-24-18(15)26-5-4-12(20)13(22)8-26/h1-3,6,9,12-13H,4-5,8,22H2,(H,23,24,25)/t12-,13+/m1/s1
InChIKey
PPGUULSJUXLSJS-OLZOCXBDSA-N
Chemical Structure
2D Structure
2D structure of Hpk1-IN-33
CAS: 2920000-86-6
CID: 168007152
Formula: C18H16ClFN6
MW: 370.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.8
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass370.1109004
Monoisotopic Mass370.1109004
Topological Polar Surface Area94.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity555
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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