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AZ1495

CAT: 0931-T14367-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T14367-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2196204-23-4
Target
IRAK, CDK, Haspin Kinase
Related Pathways
Cell Cycle/Checkpoint, NF-κB, Immunology/Inflammation
Purity
0.9881
Bioactivity
AZ1495 is an oral active inhibitor of Interleukin-1 receptor associated kinase 4 (IRAK4), with IC50 values of 5 nM and 23 nM for IRAK4 and IRAK1, respectively. Which Shows activity in treatment of mutant MYD88L265P diffuse large B-cell lymphoma (DLBCL) .
Smiles
C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12
Molecular Formula
C21H31N5O2
Molecular Weight
385.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(trans-4-Morpholinocyclohexyl)-5-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CAS Number2196204-23-4
PubChem CID131839619
IUPAC NameN-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Molecular FormulaC21H31N5O2
Molecular Weight385.5
XLogP2.4
Topological Polar Surface Area75.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity489
SMILES
C1CC(CCC1NC2=NC=NC3=C2C(=CN3)C4CCOCC4)N5CCOCC5
InChI
InChI=1S/C21H31N5O2/c1-3-17(26-7-11-28-12-8-26)4-2-16(1)25-21-19-18(15-5-9-27-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H2,22,23,24,25)
InChIKey
DJVYXMINSBMUHH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(trans-4-Morpholinocyclohexyl)-5-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CAS: 2196204-23-4
CID: 131839619
Formula: C21H31N5O2
MW: 385.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.5
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass385.24777525
Monoisotopic Mass385.24777525
Topological Polar Surface Area75.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity489
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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