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HPK1-IN-61

CAT: 0804-HY-177272Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-177272Size:1 Each
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Description
HPK1-IN-61 (Compound 1) is an inhibitor of hematopoietic progenitor kinase 1 (HPK1) (Ki = 0.4 nM) and an inhibitor of Abl (IC50 LCK with an IC50 of 24 nM[1].
CAS Number
875638-86-1
UNSPSC
12352005
Target
Bcr-Abl; MAP4K; Src
Related Pathways
MAPK/ERK Pathway; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Others
Smiles
NC1=C(C=C(C2=CN=C3NC=C(C3=C2)C4=C(OC)C=CC=C4)C=C1)C(N(C)C)=O
Molecular Formula
C23H22N4O2
Molecular Weight
386.45
References & Citations
[1]Chan, B. K., et al., (2021) . Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1) . ACS medicinal chemistry letters, 13 (1), 84–91.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-Amino-5-[3-(2-methoxy-phenyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-n,n-dimethyl-benzamide
CAS Number875638-86-1
PubChem CID16739128
IUPAC Name2-amino-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
Molecular FormulaC23H22N4O2
Molecular Weight386.4
XLogP3.9
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity571
SMILES
CN(C)C(=O)C1=C(C=CC(=C1)C2=CC3=C(NC=C3C4=CC=CC=C4OC)N=C2)N
InChI
InChI=1S/C23H22N4O2/c1-27(2)23(28)18-10-14(8-9-20(18)24)15-11-17-19(13-26-22(17)25-12-15)16-6-4-5-7-21(16)29-3/h4-13H,24H2,1-3H3,(H,25,26)
InChIKey
WXWRMODVCNBNEA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-5-[3-(2-methoxy-phenyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-n,n-dimethyl-benzamide
CAS: 875638-86-1
CID: 16739128
Formula: C23H22N4O2
MW: 386.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.4
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass386.17427596
Monoisotopic Mass386.17427596
Topological Polar Surface Area84.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity571
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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