Tofacitinib citrate

Inquiry

For Research Use Only.

Size	Price	Stock	Quantity
500 mg	$199	In stock

Category

Impurities

Cat.No.

NP2603

CAS

540737-29-9

Product Name

Tofacitinib citrate

Structure

Product Details

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).

Synonyms

CP-690550; CP 690550; CP690550; Tofacitinib; tasocitinib.

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

Molecular Weight

504.5

Molecular Formula

C22H28N6O8

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.)

Purity

98%

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