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Oclacitinib

CAT: 1568-C03495-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1568-C03495-03Size:100 mg
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CAS Number
1208319-26-9
Synonyms
PF-03394197
SKU
C03495-5mg
Target
JAK
Applications
Angiogenesis
Additionnal Information
Oclacitinib (PF-03394197), an inhibitor of JAK is highly potent at inhibiting JAK1 with an IC50 value of 10 nM, respectively. Oclacitinib is highly potent against the JAK1 enzyme, displaying a 1.8-fold selectivity for JAK1 vs. JAK2 and a 9.9-fold selectivity toward JAK1 vs. JAK3.

Chemical Information

Oclacitinib

See also: Oclacitinib (annotation moved to); Oclacitinib Maleate (annotation moved to).

CAS Number1208319-26-9
PubChem CID44631938
IUPAC NameN-methyl-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]methanesulfonamide
Molecular FormulaC15H23N5O2S
Molecular Weight337.4
XLogP1.7
Topological Polar Surface Area99.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity487
SMILES
CNS(=O)(=O)CC1CCC(CC1)N(C)C2=NC=NC3=C2C=CN3
InChI
InChI=1S/C15H23N5O2S/c1-16-23(21,22)9-11-3-5-12(6-4-11)20(2)15-13-7-8-17-14(13)18-10-19-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,17,18,19)
InChIKey
HJWLJNBZVZDLAQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oclacitinib
CAS: 1208319-26-9
CID: 44631938
Formula: C15H23N5O2S
MW: 337.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.4
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass337.15724617
Monoisotopic Mass337.15724617
Topological Polar Surface Area99.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity487
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
MBS579439Oclacitinib
CS-O-61651Oclacitinib d5
TRC-O170020-1MGOclacitinib Maleate
HY-13577A-01Oclacitinib (monomaleate)

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