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PF-03394197(Oclacitinib)

CAT: 0607-B5960-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-B5960-5Size:5 mg
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Description
Novel Janus kinase inhibitor
CAS Number
1208319-26-9
Product Name Alternative
N-methyl-1-((1r,4r)-4-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)cyclohexyl)methanesulfonamide
Field of Research
MAPK Signaling JNK
Purity
0.9783
Form
A solid
Solubility
≥33.7 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH
Smiles
CNS(C[C@@]1([H])CC[C@@](N(C2=NC=NC3=C2C=CN3)C)([H])CC1)(=O)=O
Molecular Formula
C15H23N5O2S
Molecular Weight
337.44
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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

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Alternative Products

CatalogName
MBS385913-01PF-03394197 (oclacitinib)
A13082-10PF-03394197 (oclacitinib) 10mg
A13082-50PF-03394197 (oclacitinib) 50mg
A13082-100PF-03394197 (oclacitinib) 100mg
A13082-25PF-03394197 (oclacitinib) 25mg
A13082-5PF-03394197 (oclacitinib) 5mg
A13082-10mM-DPF-03394197 (oclacitinib) 10mM * 1mL in DMSO
2883-5PF-03394197
B2479-5EZSolution™ PF-03394197
MBS579439Oclacitinib

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