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JH-X-119-01

CAT: 1568-C14464-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C14464-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2227368-54-7
SKU
C14464-5mg
Target
IRAK
Applications
Immunology & Inflammation
Smiles
C=CC (=O) NC1=CC=CC (=C1) C (=O) NC2=CC=C (NC (=O) C3=NC (=CC=C3) C4=CC=N[NH]4) C=C2
Molecular Formula
C25H20N6O3
Additionnal Information
JH-X-119-01 is a highly potent and selective covalent inhibitor of IRAK1 with IC50 of 9 nM.
Storage Conditions
3 years -20°C powder

Chemical Information

N-(4-((3-(prop-2-enoylamino)benzoyl)amino)phenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CAS Number2227368-54-7
PubChem CID131704492
IUPAC NameN-[4-[[3-(prop-2-enoylamino)benzoyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
Molecular FormulaC25H20N6O3
Molecular Weight452.5
XLogP2.6
Topological Polar Surface Area129
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity738
SMILES
C=CC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC(=N3)C4=CC=NN4
InChI
InChI=1S/C25H20N6O3/c1-2-23(32)27-19-6-3-5-16(15-19)24(33)28-17-9-11-18(12-10-17)29-25(34)22-8-4-7-20(30-22)21-13-14-26-31-21/h2-15H,1H2,(H,26,31)(H,27,32)(H,28,33)(H,29,34)
InChIKey
WQVPGYMGERDXLH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-((3-(prop-2-enoylamino)benzoyl)amino)phenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CAS: 2227368-54-7
CID: 131704492
Formula: C25H20N6O3
MW: 452.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.5
XLogP32.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass452.15968852
Monoisotopic Mass452.15968852
Topological Polar Surface Area129 Ų
Heavy Atom Count34
Formal Charge0
Complexity738
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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BA6053-5JH-X-119-01
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