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HPK1-IN-47

CAT: 0931-T200320-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T200320-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2893885-42-0
Target
MAPK, Ligands for Target Protein for PROTAC
Related Pathways
MAPK, PROTAC
Bioactivity
HPK1-IN-47, a PROTAC HPK1 degrader (DC 50: 23 nM in PBMCs), serves as a precursor for the synthesis of compounds like PROTAC HPK1 Degrader-2. It is utilized in research focused on diseases mediated by HPK1, including cancer.
Smiles
O=C(C=1C=CC(=CC1C)C2=CNC=3N=CC(=NC32)C4=CC(=C5C(=C4)CCNC5)C)N(C)C
Molecular Formula
C26H27N5O
Molecular Weight
425.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hpk1-IN-47
CAS Number2893885-42-0
PubChem CID169592898
IUPAC NameN,N,2-trimethyl-4-[2-(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide
Molecular FormulaC26H27N5O
Molecular Weight425.5
XLogP3.2
Topological Polar Surface Area73.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity671
SMILES
CC1=CC(=CC2=C1CNCC2)C3=CN=C4C(=N3)C(=CN4)C5=CC(=C(C=C5)C(=O)N(C)C)C
InChI
InChI=1S/C26H27N5O/c1-15-9-17(5-6-20(15)26(32)31(3)4)22-13-28-25-24(22)30-23(14-29-25)19-10-16(2)21-12-27-8-7-18(21)11-19/h5-6,9-11,13-14,27H,7-8,12H2,1-4H3,(H,28,29)
InChIKey
MBIRMSMQWOVHRV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hpk1-IN-47
CAS: 2893885-42-0
CID: 169592898
Formula: C26H27N5O
MW: 425.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.5
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass425.22156050
Monoisotopic Mass425.22156050
Topological Polar Surface Area73.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity671
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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