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CNX-774

CAT: 0013-GTR19161201-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19161201-02Size:2 mg
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Description
CNX-774 is a potent Btk inhibitor (IC50 < 1 nM) . Recently Bruton's tyrosine kinase (BTK), a crucial terminal kinase enzyme in the B-cell antigen receptor (BCR) signaling pathway, has emerged as an attractive target for therapeutic intervention in human malignancies and autoimmune disorders.
CAS Number
1202759-32-7
Product Name Alternative
CNX774 | CNX 774 | CNX-774
Field of Research
Cell Biology
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 45 mg/mL. 90.09 mM
Smiles
C1c (ccc (c1) Oc1ccnc (c1) C (=O) NC) Nc1nc (c (cn1) F) Nc1cccc (c1) NC (=O) C=C
Molecular Formula
C26H22FN7O3
Molecular Weight
499.5
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
4- (4- ((4- ((3-acrylamidophenyl) amino) -5-fluoropyrimidin-2-yl) amino) phenoxy) -N-methylpicolinamide

Chemical Information

4-(4-((4-((3-acrylamidophenyl)amino)-5-fluoropyrimidin-2-yl)amino)phenoxy)-N-methylpicolinamide
CAS Number1202759-32-7
PubChem CID59174579
IUPAC Name4-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide
Molecular FormulaC26H22FN7O3
Molecular Weight499.5
XLogP3.9
Topological Polar Surface Area130
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity766
SMILES
CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)F
InChI
InChI=1S/C26H22FN7O3/c1-3-23(35)31-17-5-4-6-18(13-17)32-24-21(27)15-30-26(34-24)33-16-7-9-19(10-8-16)37-20-11-12-29-22(14-20)25(36)28-2/h3-15H,1H2,2H3,(H,28,36)(H,31,35)(H2,30,32,33,34)
InChIKey
VVLHQJDAUIPZFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-((4-((3-acrylamidophenyl)amino)-5-fluoropyrimidin-2-yl)amino)phenoxy)-N-methylpicolinamide
CAS: 1202759-32-7
CID: 59174579
Formula: C26H22FN7O3
MW: 499.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight499.5
XLogP33.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass499.17681575
Monoisotopic Mass499.17681575
Topological Polar Surface Area130 Ų
Heavy Atom Count37
Formal Charge0
Complexity766
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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