Description:
Tofacitinib (trade name Xeljanz, formerly tasocitinib, CP-690550) is a drug discovered and developed by Pfizer. It is currently approved for the treatment of rheumatoid arthritis (RA) in the United States and is being studied for treatment of psoriasis, inflammatory bowel disease, and other immunological diseases, as well as for the prevention of organ transplant rejection. (source: http: //en.wikipedia.org/wiki/Tofacitinib).
- Molecular Weight: 504.5
- Molecular Formula: C22H28N6O8
Purity: 98%
Canonical SMILES:
CC1CCN(CC1N(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
- Melting Point: 198-202 °C (dec.)
- Solubility: In Vitro: DMSO : ≥ 122.5 mg/mL (242.82 mM)H2O : 5 mg/mL (9.91 mM; Need ultrasonic and warming)
- Appearance: White to Off-white Solid
- Application: Janus Kinase Inhibitors
- Storage: RT
Synonyms:
CP-690550; CP 690550; CP690550; Tofacitinib; tasocitinib.
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