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BIO-7488

CAT: 0013-GTR19236523-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236523-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BIO-7488 is a highly potent and selective IRAK4 inhibitor with an IC50 of 0.6 nM, demonstrating oral bioavailability and central nervous system penetration. Its utility in researching neuroinflammatory and autoimmune diseases is supported by its favorable selectivity profile over hERG (>30 μM) for in vitro and in vivo experimental models.
CAS Number
2573211-25-1
Field of Research
Immunology & Inflammation, Signal Transduction
Smiles
CC12CC (C1) (CO2) C=3N=C4N (C3) C=C (C (NC5=C6N (N=C5) C=C (C) C=N6) =O) C (OC (C) C) =N4
Molecular Formula
C23H25N7O3
Molecular Weight
447.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CAS Number2573211-25-1
PubChem CID155437283
IUPAC Name2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
Molecular FormulaC23H25N7O3
Molecular Weight447.5
XLogP2.3
Topological Polar Surface Area108
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity775
SMILES
CC1=CN2C(=C(C=N2)NC(=O)C3=CN4C=C(N=C4N=C3OC(C)C)C56CC(C5)(OC6)C)N=C1
InChI
InChI=1S/C23H25N7O3/c1-13(2)33-20-15(19(31)26-16-6-25-30-7-14(3)5-24-18(16)30)8-29-9-17(27-21(29)28-20)23-10-22(4,11-23)32-12-23/h5-9,13H,10-12H2,1-4H3,(H,26,31)
InChIKey
DEQCXGYERMCXNL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CAS: 2573211-25-1
CID: 155437283
Formula: C23H25N7O3
MW: 447.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.5
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass447.20188768
Monoisotopic Mass447.20188768
Topological Polar Surface Area108 Ų
Heavy Atom Count33
Formal Charge0
Complexity775
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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