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(Rac) -PF-06250112

CAT: 0804-HY-117900ASize: 1 EachDry Ice: NoHazardous: No
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Description
(Rac) -PF-0625011 is a racemate of PF-06250112. PF-06250112 is a potent, highly selective, orally bioavailable BTK inhibitor and shows inhibitory effect toward BMX nonreceptor tyrosine kinase and TEC[1].
CAS Number
1609465-88-4
UNSPSC
12352005
Target
Btk
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Neuroscience-Neuromodulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/rac-pf-06250112.html
Solubility
DMSO : ≥ 250 mg/mL
Smiles
O=C(C1=C(N)N(C2CN(C#N)CCC2)N=C1C3=CC=C(OC4=CC=C(F)C=C4F)C=C3)N
Molecular Formula
C22H20F2N6O2
Molecular Weight
438.43
References & Citations
[1]Rankin AL, et al. Selective inhibition of BTK prevents murine lupus and antibody-mediated glomerulonephritis. J Immunol. 2013 Nov 1;191 (9) :4540-50.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

5-amino-1-(1-cyanopiperidin-3-yl)-3-(4-(2,4-difluorophenoxy)phenyl)-1H-pyrazole-4-carboxamide

inhibits Bruton's tyrosine kinase; structure in first source

CAS Number1609465-88-4
PubChem CID90118961
IUPAC Name5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(2,4-difluorophenoxy)phenyl]pyrazole-4-carboxamide
Molecular FormulaC22H20F2N6O2
Molecular Weight438.4
XLogP3.5
Topological Polar Surface Area123
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity712
SMILES
C1CC(CN(C1)C#N)N2C(=C(C(=N2)C3=CC=C(C=C3)OC4=C(C=C(C=C4)F)F)C(=O)N)N
InChI
InChI=1S/C22H20F2N6O2/c23-14-5-8-18(17(24)10-14)32-16-6-3-13(4-7-16)20-19(22(27)31)21(26)30(28-20)15-2-1-9-29(11-15)12-25/h3-8,10,15H,1-2,9,11,26H2,(H2,27,31)
InChIKey
SQFDBQCBXUWICP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-amino-1-(1-cyanopiperidin-3-yl)-3-(4-(2,4-difluorophenoxy)phenyl)-1H-pyrazole-4-carboxamide
CAS: 1609465-88-4
CID: 90118961
Formula: C22H20F2N6O2
MW: 438.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.4
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass438.16158023
Monoisotopic Mass438.16158023
Topological Polar Surface Area123 Ų
Heavy Atom Count32
Formal Charge0
Complexity712
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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