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HPK1-IN-30

CAT: 0804-HY-143871Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-143871Size:1 Each
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Description
HPK1-IN-30 is a potent inhibitor of HPK1. MAP4K1 is also known as hematopoietic progenitor kinase 1 (HPK1) . MAP4K1 is a serine/threonine kinase and member of the germinal center kinase family. HPK1-IN-30 has the potential for the research of cancer diseases (extracted from patent WO2021175271A1, compound 3) [1].
CAS Number
2700292-56-2
UNSPSC
12352005
Target
MAP4K
Type
Reference compound
Related Pathways
MAPK/ERK Pathway
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/hpk1-in-30.html
Solubility
10 mM in DMSO
Smiles
N#CC1=CC2=C(C=C1C3=C(C)C=CC=C3F)C(C4=CN(C5CCNCC5)N=C4)=CN=C2N
Molecular Formula
C25H23FN6
Molecular Weight
426.49
References & Citations
[1]Jiang Lei, et al. Novel hpk1 inhibitor and preparation method and application thereof. Patent WO2021175271A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Hpk1-IN-30
CAS Number2700292-56-2
PubChem CID156787589
IUPAC Name1-amino-6-(2-fluoro-6-methylphenyl)-4-(1-piperidin-4-ylpyrazol-4-yl)isoquinoline-7-carbonitrile
Molecular FormulaC25H23FN6
Molecular Weight426.5
XLogP3.5
Topological Polar Surface Area92.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity689
SMILES
CC1=C(C(=CC=C1)F)C2=CC3=C(C=C2C#N)C(=NC=C3C4=CN(N=C4)C5CCNCC5)N
InChI
InChI=1S/C25H23FN6/c1-15-3-2-4-23(26)24(15)19-10-20-21(9-16(19)11-27)25(28)30-13-22(20)17-12-31-32(14-17)18-5-7-29-8-6-18/h2-4,9-10,12-14,18,29H,5-8H2,1H3,(H2,28,30)
InChIKey
UWYFMCQFODZGKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hpk1-IN-30
CAS: 2700292-56-2
CID: 156787589
Formula: C25H23FN6
MW: 426.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.5
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass426.19682292
Monoisotopic Mass426.19682292
Topological Polar Surface Area92.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity689
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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