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HPK1-IN-28

CAT: 0804-HY-143869Size: 1 EachDry Ice: NoHazardous: No
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Description
HPK1-IN-28 is a potent inhibitor of HPK1. Hematopoietic progenitor kinase 1 (HPK1) is a negative regulator of the activation response of dendritic cells (DCs), T cells and B cells. HPK1-IN-28 enhances the body's anti-tumor immunity. HPK1-IN-28 has the potential for the research of immune-related diseases, especially tumor (extracted from patent WO2021175270A1, compound 1) [1].
CAS Number
2699603-89-7
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-28.html
Solubility
10 mM in DMSO
Smiles
FC1=C(OC2=NC=NC3=C2C(C4=C(F)C=C(OC)C=C4)=CN3)C(F)=CC(NC5=NCC(CO)(CO5)C)=C1
Molecular Formula
C25H22F3N5O4
Molecular Weight
513.47
References & Citations
[1]Jiang Lei, et al. Novel hpk1 inhibitors and methods of preparation and application thereof. Patent WO2021175270A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Hpk1-IN-28
CAS Number2699603-89-7
PubChem CID163322035
IUPAC Name[2-[3,5-difluoro-4-[[5-(2-fluoro-4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]anilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol
Molecular FormulaC25H22F3N5O4
Molecular Weight513.5
XLogP3.7
Topological Polar Surface Area114
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity802
SMILES
CC1(CN=C(OC1)NC2=CC(=C(C(=C2)F)OC3=NC=NC4=C3C(=CN4)C5=C(C=C(C=C5)OC)F)F)CO
InChI
InChI=1S/C25H22F3N5O4/c1-25(10-34)9-30-24(36-11-25)33-13-5-18(27)21(19(28)6-13)37-23-20-16(8-29-22(20)31-12-32-23)15-4-3-14(35-2)7-17(15)26/h3-8,12,34H,9-11H2,1-2H3,(H,30,33)(H,29,31,32)
InChIKey
OLAZOTSEYGDCSN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hpk1-IN-28
CAS: 2699603-89-7
CID: 163322035
Formula: C25H22F3N5O4
MW: 513.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight513.5
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass513.16238869
Monoisotopic Mass513.16238869
Topological Polar Surface Area114 Ų
Heavy Atom Count37
Formal Charge0
Complexity802
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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