API reference

Tofacitinib citrate

CAS number
540737-29-9
Molecular formula
C22H28N6O8
Molecular weight
504.5 g/mol
Tofacitinib citrate — 2D structure
2D structure (PubChem)

About this molecule

Tofacitinib Citrate is the citrate salt form of tofacitinib, an orally bioavailable inhibitor of Janus kinases (JAK), with immunomodulatory and anti-inflammatory activities. Upon oral administration, tofacitinib binds to JAK and prevents the activation of the JAK-signal transducers and activators of transcription (STAT) signaling pathway. This may decrease the production of pro-inflammatory cytokines, such as interleukin (IL)-6, -7, -15, -21, interferon-alpha (IFN-a) and -beta (IFN-b), and may prevent both an inflammatory response and the inflammation-induced damage caused by certain immunological diseases. JAK kinases are intracellular enzymes involved in signaling pathways affecting hematopoiesis, immunity and inflammation.

Source: NCI Thesaurus (NCIt), via PubChem.

Identifiers

IUPAC name
2-hydroxypropane-1,2,3-tricarboxylic acid;3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
InChIKey
SYIKUFDOYJFGBQ-YLAFAASESA-N
SMILES
C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
PubChem CID
10174505

Also known as

Tofacitinib citrate · Tasocitinib citrate · Xeljanz · Xeljanz Xr · Tasocitinib monocitrate · Tofacitinib monocitrate · CP-690,550-10 · Tofacitinib (citrate)

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