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GNE-955

CAT: 0931-T15406-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T15406-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1527523-39-2
Target
Pim
Related Pathways
Chromatin/Epigenetic, JAK/STAT signaling
Bioactivity
GNE-955 is a potent and orally active inhibitor of pan Pim kinase, with inhibition constants (Kis) of 0.018 nM, 0.11 nM, and 0.08 nM for Pim1, Pim2, and Pim3, respectively.
Smiles
O(C)C=1C(=NC(N2C=3C(C=N2)=CN=C(C3)C4=NC(C)=CN=C4)=CC1)N5C[C@@H](N)CCC5
Molecular Formula
C22H24N8O
Molecular Weight
416.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(S)-1-(3-methoxy-6-(6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyridin-2-yl)piperidin-3-amine
CAS Number1527523-39-2
PubChem CID77050662
IUPAC Name(3S)-1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine
Molecular FormulaC22H24N8O
Molecular Weight416.5
XLogP1.4
Topological Polar Surface Area108
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity596
SMILES
CC1=CN=CC(=N1)C2=NC=C3C=NN(C3=C2)C4=NC(=C(C=C4)OC)N5CCC[C@@H](C5)N
InChI
InChI=1S/C22H24N8O/c1-14-9-24-12-18(27-14)17-8-19-15(10-25-17)11-26-30(19)21-6-5-20(31-2)22(28-21)29-7-3-4-16(23)13-29/h5-6,8-12,16H,3-4,7,13,23H2,1-2H3/t16-/m0/s1
InChIKey
FPBWUTAWSOLPQI-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of (S)-1-(3-methoxy-6-(6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyridin-2-yl)piperidin-3-amine
CAS: 1527523-39-2
CID: 77050662
Formula: C22H24N8O
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass416.20730742
Monoisotopic Mass416.20730742
Topological Polar Surface Area108 Ų
Heavy Atom Count31
Formal Charge0
Complexity596
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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