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HPK1-IN-18

CAT: 0804-HY-145045Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-145045Size:1 Each
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Description
HPK1-IN-18 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-18 is useful in researching, preventing or ameliorating diseases or disorders associated with HPK1 activity such as cancer (extracted from patent WO2019238067A1, compound 1) [1].
CAS Number
2403598-42-3
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-18.html
Solubility
10 mM in DMSO
Smiles
CN(CC1)CCN1C2=CC=C(C=C2)C3=CN=C(NC=C4C5=CC=CC=C5)C4=C3
Molecular Formula
C24H24N4
Molecular Weight
368.47
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-18
CAS Number2403598-42-3
PubChem CID146274372
IUPAC Name5-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-1H-pyrrolo[2,3-b]pyridine
Molecular FormulaC24H24N4
Molecular Weight368.5
XLogP4.5
Topological Polar Surface Area35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity489
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(NC=C4C5=CC=CC=C5)N=C3
InChI
InChI=1S/C24H24N4/c1-27-11-13-28(14-12-27)21-9-7-18(8-10-21)20-15-22-23(17-26-24(22)25-16-20)19-5-3-2-4-6-19/h2-10,15-17H,11-14H2,1H3,(H,25,26)
InChIKey
AWUUNVCRTLNKKY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hpk1-IN-18
CAS: 2403598-42-3
CID: 146274372
Formula: C24H24N4
MW: 368.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.5
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass368.20009678
Monoisotopic Mass368.20009678
Topological Polar Surface Area35.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity489
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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