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HPK1-IN-37

CAT: 0931-T79787-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T79787-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2766481-68-7
Target
Others, MAPK
Related Pathways
Others, MAPK
Bioactivity
HPK1-IN-37 (compound A85) is a potent HPK1 inhibitor with an IC50 value of 3.7 nM, suitable for research on HPK1-associated diseases and disorders, particularly cancers [1].
Smiles
OC1(C2=CC(=CC(=C2)C3=NC(OC4=CN(N=C4)C5CCN(C)CC5)=C(N)N=C3)N6[C@H](CO)CCC6)COC1
Molecular Formula
C27H35N7O4
Molecular Weight
521.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hpk1-IN-37
CAS Number2766481-68-7
PubChem CID166982950
IUPAC Name3-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]oxetan-3-ol
Molecular FormulaC27H35N7O4
Molecular Weight521.6
XLogP0.4
Topological Polar Surface Area135
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity783
SMILES
CN1CCC(CC1)N2C=C(C=N2)OC3=NC(=CN=C3N)C4=CC(=CC(=C4)N5CCC[C@H]5CO)C6(COC6)O
InChI
InChI=1S/C27H35N7O4/c1-32-7-4-20(5-8-32)34-14-23(12-30-34)38-26-25(28)29-13-24(31-26)18-9-19(27(36)16-37-17-27)11-22(10-18)33-6-2-3-21(33)15-35/h9-14,20-21,35-36H,2-8,15-17H2,1H3,(H2,28,29)/t21-/m0/s1
InChIKey
XUXGKXCBHYDGHN-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of Hpk1-IN-37
CAS: 2766481-68-7
CID: 166982950
Formula: C27H35N7O4
MW: 521.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight521.6
XLogP30.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass521.27505262
Monoisotopic Mass521.27505262
Topological Polar Surface Area135 Ų
Heavy Atom Count38
Formal Charge0
Complexity783
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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