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HPK1-IN-21

CAT: 0804-HY-144073Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-144073Size:1 Each
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Description
HPK1-IN-21 is a potent inhibitor of HPK1 kinase inhibitor (Ki=0.8 nM) . HPK1-IN-21 also has orally active[1].
CAS Number
2413804-83-6
UNSPSC
12352005
Target
MAP4K
Type
Peptides
Related Pathways
MAPK/ERK Pathway
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/hpk1-in-21.html
Solubility
10 mM in DMSO
Smiles
CN(C(C1=C(C(C2=C(C3=C(NC[C@@]34CC[C@](C(N)=O)(C4)C)N=C2)Cl)=CC=C1N)F)=O)C
Molecular Formula
C22H25ClFN5O2
Molecular Weight
445.92
References & Citations
[1]Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1) . ACS Med Chem Lett. 2021, 13 (1) :84-91.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported
Isoform
MAP4K1/HPK1

Chemical Information

Hpk1-IN-21
CAS Number2413804-83-6
PubChem CID146536737
IUPAC Name(1'S,3R)-5-[4-amino-3-(dimethylcarbamoyl)-2-fluorophenyl]-4-chloro-1'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,3'-cyclopentane]-1'-carboxamide
Molecular FormulaC22H25ClFN5O2
Molecular Weight445.9
XLogP2.8
Topological Polar Surface Area114
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity741
SMILES
C[C@@]1(CC[C@]2(C1)CNC3=NC=C(C(=C23)Cl)C4=C(C(=C(C=C4)N)C(=O)N(C)C)F)C(=O)N
InChI
InChI=1S/C22H25ClFN5O2/c1-21(20(26)31)6-7-22(9-21)10-28-18-15(22)16(23)12(8-27-18)11-4-5-13(25)14(17(11)24)19(30)29(2)3/h4-5,8H,6-7,9-10,25H2,1-3H3,(H2,26,31)(H,27,28)/t21-,22-/m0/s1
InChIKey
GZQHHAHIJAPECC-VXKWHMMOSA-N
Chemical Structure
2D Structure
2D structure of Hpk1-IN-21
CAS: 2413804-83-6
CID: 146536737
Formula: C22H25ClFN5O2
MW: 445.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.9
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass445.1680809
Monoisotopic Mass445.1680809
Topological Polar Surface Area114 Ų
Heavy Atom Count31
Formal Charge0
Complexity741
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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