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Tofacitinib Citrate

CAT: 0013-GTR19174937-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19174937-02Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tofacitinib citrate is a potent and cell-permeable Janus kinase (JAK) inhibitor with selectivity for JAK1, JAK2, and JAK3. It is widely used in both in vitro and in vivo research to investigate JAK-STAT signaling pathways in immunology, inflammation, and autoimmune disease models.
CAS Number
540737-29-9
Product Name Alternative
Tofacitinib, Tofacitinib (CP-690550) Citrate, Tofacitinib Citrate, Tasocitinib, Tasocitinib citrate, Tasocitinib Citrate, JAK1, JAK2, JAK, Janus kinase, JAK3, inhibit, InfluenzaVirus, Influenza Virus, Fungal, Inhibitor, CP690550, CP-690550, CP690550 Citrate, CP-690550 Citrate, CP-690550 citrate, CP 690550, CP 690550 Citrate, Apoptosis, Bacterial
Field of Research
Cardiovascular Research, Cell Biology, Epigenetics & Chromatin, Infectious Disease & Virology, Pharmacology & Drug Discovery, Signal Transduction, Stem Cell & Developmental Biology
Purity
99.19% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.96 mM) ; DMSO:55 mg/mL (109.02 mM)
Smiles
OC (=O) CC (O) (CC (O) =O) C (O) =O.C[C@@H]1CCN (C[C@@H]1N (C) c1ncnc2[nH]ccc12) C (=O) CC#N
Molecular Formula
C22H28N6O8
Molecular Weight
504.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tofacitinib Citrate

Tofacitinib citrate is a citrate salt obtained by combining equimolar amounts of tofacitinib and citric acid. Used to treat moderately to severely active Rheumatoid Arthritis. It has a role as an antirheumatic drug and an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. It contains a tofacitinib.

CAS Number540737-29-9
PubChem CID10174505
IUPAC Name2-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
Molecular FormulaC22H28N6O8
Molecular Weight504.5
Topological Polar Surface Area221
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity716
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
InChI
InChI=1S/C16H20N6O.C6H8O7/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t11-,13+;/m1./s1
InChIKey
SYIKUFDOYJFGBQ-YLAFAASESA-N
Chemical Structure
2D Structure
2D structure of Tofacitinib Citrate
CAS: 540737-29-9
CID: 10174505
Formula: C22H28N6O8
MW: 504.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass504.19686187
Monoisotopic Mass504.19686187
Topological Polar Surface Area221 Ų
Heavy Atom Count36
Formal Charge0
Complexity716
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
RM-T060300-01Tofacitinib Citrate
HY-40354A-01Tofacitinib (citrate)
bs-75613C-01Tofacitinib . citrate
HY-40354AR-01Tofacitinib (citrate) (Standard)
467697-01Tofacitinib Citrate Impurity
AR-T02425-01Tofacitinib-d3 Citrate
HY-40354ASTofacitinib-d3 (citrate)
CS-O-33661Enantiomer of Tofacitinib citrate
290636-01Tofacitinib Citrate (CP-690550 Citrate)
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