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Ropsacitinib

CAT: 0013-GTR19244367-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19244367-03Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ropsacitinib (PF-06826647) is a selective TYK2 inhibitor, which binds to TYK2 catalytically active JH1 domain (IC50: 17 nM) .
CAS Number
2127109-84-4
Purity
>98% (HPLC)
Smiles
C (C#N) [C@@]1 (C[C@H] (C#N) C1) N2C=C (C=N2) C=3C=4N (C=C (N3) C=5C=NN (C) C5) N=CC4
Molecular Formula
C20H17N9
Molecular Weight
383.41
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

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

Alternative Products

CatalogName
T13237L-01Ropsacitinib
C14405-25mgRopsacitinib (PF-06826647)

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