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HPK1-IN-20

CAT: 0013-GTR19188620Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188620Size:5 mg
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Description
HPK1-IN-19 is a small molecule compound that potently and selectively inhibits Hematopoietic Progenitor Kinase 1. This inhibitor is a valuable research tool for studying T-cell signaling and immune regulation in both cellular assays and preclinical in vivo models.
CAS Number
2561490-78-4
Field of Research
Signal Transduction
Smiles
COc1cc2CCN (C) Cc2cc1Nc1nc (N2OCC[C@H]2c2ccccc2) c2cc[nH]c2n1
Molecular Formula
C26H28N6O2
Molecular Weight
456.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Hpk1-IN-20
CAS Number2561490-78-4
PubChem CID155756406
IUPAC Name6-methoxy-2-methyl-N-[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-3,4-dihydro-1H-isoquinolin-7-amine
Molecular FormulaC26H28N6O2
Molecular Weight456.5
XLogP4.5
Topological Polar Surface Area78.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity678
SMILES
CN1CCC2=CC(=C(C=C2C1)NC3=NC4=C(C=CN4)C(=N3)N5[C@@H](CCO5)C6=CC=CC=C6)OC
InChI
InChI=1S/C26H28N6O2/c1-31-12-9-18-15-23(33-2)21(14-19(18)16-31)28-26-29-24-20(8-11-27-24)25(30-26)32-22(10-13-34-32)17-6-4-3-5-7-17/h3-8,11,14-15,22H,9-10,12-13,16H2,1-2H3,(H2,27,28,29,30)/t22-/m0/s1
InChIKey
XBQKUZIDRVLGJV-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of Hpk1-IN-20
CAS: 2561490-78-4
CID: 155756406
Formula: C26H28N6O2
MW: 456.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.5
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass456.22737416
Monoisotopic Mass456.22737416
Topological Polar Surface Area78.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity678
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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