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HPK1-IN-17

CAT: 0804-HY-145044Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-145044Size:1 Each
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Description
HPK1-IN-17 is a potent and selective inhibitor of HPK1. Hematopoietic progenitor kinase 1 (HPKl) originally cloned from hematopoietic progenitor cells is a member of MAP kinase kinase kinase kinases (MAP4Ks) family. HPK1-IN-17 is useful in researching, preventing or ameliorating diseases or disorders associated with HPK1 activity such as cancer (extracted from patent WO2019238067A1, compound 73) [1].
CAS Number
2403600-07-5
UNSPSC
12352005
Target
MAP4K
Type
Reference compound
Related Pathways
MAPK/ERK Pathway
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/hpk1-in-17.html
Solubility
10 mM in DMSO
Smiles
O=C(N(C)C)C1=CC=C(C2=CNC3=C2N=C(C4=CC=C(N5CCN(CC5)C)C=C4)C=N3)C=C1
Molecular Formula
C26H28N6O
Molecular Weight
440.54
References & Citations
[1]Jing Li, et al. Pyrrolo [2, 3-b] pyridines or pyrrolo [2, 3-b] pyrazines as hpk1 inhibitor and the use thereof. Patent WO2019238067A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Hpk1-IN-17
CAS Number2403600-07-5
PubChem CID146274358
IUPAC NameN,N-dimethyl-4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide
Molecular FormulaC26H28N6O
Molecular Weight440.5
XLogP3
Topological Polar Surface Area68.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity649
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)C3=CN=C4C(=N3)C(=CN4)C5=CC=C(C=C5)C(=O)N(C)C
InChI
InChI=1S/C26H28N6O/c1-30(2)26(33)20-6-4-18(5-7-20)22-16-27-25-24(22)29-23(17-28-25)19-8-10-21(11-9-19)32-14-12-31(3)13-15-32/h4-11,16-17H,12-15H2,1-3H3,(H,27,28)
InChIKey
UGFRQKYVEWFPGO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hpk1-IN-17
CAS: 2403600-07-5
CID: 146274358
Formula: C26H28N6O
MW: 440.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.5
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass440.23245954
Monoisotopic Mass440.23245954
Topological Polar Surface Area68.4 Ų
Heavy Atom Count33
Formal Charge0
Complexity649
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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