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AZ3246

CAT: 0957-E5947-100mgSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0957-E5947-100mgSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2893978-54-4
Target
MAP4K
Applications
MAPK
Molecular Formula
C21H20F3N9O
Additionnal Information
AZ3246 is a selective inhibitor of HPK1 with an IC50 value of <3 nM. AZ3246 induces IL-2 secretion in T cells with an EC50 of 90 nM and demonstrates antitumor activity in in vivo models.

Chemical Information

CID 166485054
CAS Number2893978-54-4
PubChem CID166485054
IUPAC Name5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide
Molecular FormulaC21H20F3N9O
Molecular Weight471.4
XLogP1.9
Topological Polar Surface Area129
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity753
SMILES
CC1=NN(C=C1NC2=NC(=C(N=C2C(=O)N)C3=CN=CC4=C3N=CN4C)C5CC5)CC(F)(F)F
InChI
InChI=1S/C21H20F3N9O/c1-10-13(7-33(31-10)8-21(22,23)24)28-20-18(19(25)34)29-17(15(30-20)11-3-4-11)12-5-26-6-14-16(12)27-9-32(14)2/h5-7,9,11H,3-4,8H2,1-2H3,(H2,25,34)(H,28,30)
InChIKey
YLGMPWWMPCGYBF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 166485054
CAS: 2893978-54-4
CID: 166485054
Formula: C21H20F3N9O
MW: 471.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.4
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass471.17429078
Monoisotopic Mass471.17429078
Topological Polar Surface Area129 Ų
Heavy Atom Count34
Formal Charge0
Complexity753
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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