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PF-303

CAT: 0013-GTR19209586-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209586-03Size:100 mg
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Description
PF-303 is a covalent-reversible inhibitor of Bruton's tyrosine kinase (BTK) . This small molecule research tool is used in preclinical studies for investigating B-cell malignancies and autoimmune disorders, with applications in both in vitro biochemical assays and in vivo disease models.
CAS Number
1609465-78-2
Field of Research
Cardiovascular Research, Signal Transduction
Smiles
C (N) (=O) C=1C (=NN (C1N) [C@H]2CN (C#N) CCC2) C3=CC=C (OC4=CC=C (Cl) C=C4) C=C3
Molecular Formula
C22H21ClN6O2
Molecular Weight
436.89
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-amino-3-[4-(4-chlorophenoxy)phenyl]-1-[(3R)-1-cyanopiperidin-3-yl]pyrazole-4-carboxamide
CAS Number1609465-78-2
PubChem CID74222426
IUPAC Name5-amino-3-[4-(4-chlorophenoxy)phenyl]-1-[(3R)-1-cyanopiperidin-3-yl]pyrazole-4-carboxamide
Molecular FormulaC22H21ClN6O2
Molecular Weight436.9
XLogP3.9
Topological Polar Surface Area123
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity670
SMILES
C1C[C@H](CN(C1)C#N)N2C(=C(C(=N2)C3=CC=C(C=C3)OC4=CC=C(C=C4)Cl)C(=O)N)N
InChI
InChI=1S/C22H21ClN6O2/c23-15-5-9-18(10-6-15)31-17-7-3-14(4-8-17)20-19(22(26)30)21(25)29(27-20)16-2-1-11-28(12-16)13-24/h3-10,16H,1-2,11-12,25H2,(H2,26,30)/t16-/m1/s1
InChIKey
YQUQOLJFVODMTO-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of 5-amino-3-[4-(4-chlorophenoxy)phenyl]-1-[(3R)-1-cyanopiperidin-3-yl]pyrazole-4-carboxamide
CAS: 1609465-78-2
CID: 74222426
Formula: C22H21ClN6O2
MW: 436.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.9
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass436.1414516
Monoisotopic Mass436.1414516
Topological Polar Surface Area123 Ų
Heavy Atom Count31
Formal Charge0
Complexity670
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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