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Ropsacitinib (PF-06826647)

CAT: 0957-S9676-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-S9676-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2127109-84-4
Synonyms
Tyk2-IN-8, compound 10
Target
JAK
Applications
Angiogenesis
Smiles
CN1C=C (C=N1) C2=CN3C (=CC=N3) C (=N2) C4=CN (N=C4) C5 (CC (C5) C#N) CC#N
Molecular Formula
C20H17N9
Additionnal Information
Ropsacitinib (PF-06826647, Tyk2-IN-8, compound 10) is a selective and orally administered inhibitor of tyrosine kinase 2 (TYK2) with IC50 of 17 nM for binding to TYK2 catalytically active JH1 domain. PF-06826647 (Tyk2-IN-8, compound 10) also inhibits JAK1 and JAK2 with IC50 of 383 nM and 74 nM, respectively. PF-06826647 (Tyk2-IN-8, compound 10) is used in the treatment of psoriasis (PSO) .
Storage Conditions
3 years -20°C powder

Chemical Information

3-(Cyanomethyl)-3-(4-(6-(1-methylpyrazol-4-yl)pyrazolo(1,5-a)pyrazin-4-yl)pyrazol-1-yl)cyclobutane-1-carbonitrile

See also: Ropsacitinib (annotation moved to) ... View More ...

CAS Number2127109-84-4
PubChem CID130339268
IUPAC Name3-(cyanomethyl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile
Molecular FormulaC20H17N9
Molecular Weight383.4
XLogP-0.4
Topological Polar Surface Area113
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity716
SMILES
CN1C=C(C=N1)C2=CN3C(=CC=N3)C(=N2)C4=CN(N=C4)C5(CC(C5)C#N)CC#N
InChI
InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3
InChIKey
XPLZTJWZDBFWDE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Cyanomethyl)-3-(4-(6-(1-methylpyrazol-4-yl)pyrazolo(1,5-a)pyrazin-4-yl)pyrazol-1-yl)cyclobutane-1-carbonitrile
CAS: 2127109-84-4
CID: 130339268
Formula: C20H17N9
MW: 383.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.4
XLogP3-0.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass383.16069158
Monoisotopic Mass383.16069158
Topological Polar Surface Area113 Ų
Heavy Atom Count29
Formal Charge0
Complexity716
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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