Tofacitinib Citrate

Basic Information

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CAS Number

540737-29-9

Molecular Formula

C22H28N6O8

Molecular Weight

301.39 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

No data available

Boiling Point

No data available

Density

1.0400

Flash Point

No data available

Solubility

DMSO: soluble5mg/mL (clear solution; warmed)

Vapor Pressure

No data available

SMILES

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C[C@@H]1CCN(C[C@@H]1N(C)c2ncnc3[nH]ccc23)C(=O)CC#N.OC(=O)CC(O)(CC(=O)O)C(=O)O

InChI

InChI=1S/C16H23N5O/c1-4-14(22)21-8-6-11(2)13(9-21)20(3)16-12-5-7-17-15(12)18-10-19-16/h5,7,10-11,13H,4,6,8-9H2,1-3H3,(H,17,18,19)/t11-,13+/m1/s1

InChIKey

PYYXYGXYGQVNQR-YPMHNXCESA-N

LogP

2.0410999999999992

Topological Polar Surface Area

65.12 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

716

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Tofacitinib (Tasocitinib, CP-690550)
Tofacitinib (CP-690550) Citrate
CP-690550 Citrate (Tofacitinib Citrate)
1-PIPERIDINEPROPANENITRILE, 4-METHYL-3-(METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YLAMINO)-BETA-OXO-, (3R,4R)-, 2-HYDROXY-1,2...
CP 690,550
CP 690550 citrate
Tasocitinib citrate
Tasocitinib citric acid salt
tofacitinib
Tofacitinib citrate
Tofacitinib citrate(CP690550)
TOFACITINIB, CITRATE SALT
Tofacititinib cirate
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
3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile 2-hydroxypropane-1,2,3-tricarboxylate
citro
CP-690,550-10
CP-690550 citrate
Xeljanz
(3R,4R)-4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-1-piperidinepropanenitrile citrate salt
3-[(3R,4R)-4-Methyl-3-[methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile citrate salt
Tasocitinib citrate salt
CP 690500-10
CP 690550-10
Tofacitinib (citrate)
O1FF4DIV0D
Tofacitinib citrate [USAN]
Xeljanz Xr
citro; tofacitinib
3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3
CP-690550-10

MDL Number

MFCD11616529

FAQ

What is Tofacitinib Citrate (CAS: 540737-29-9)?

Tofacitinib Citrate is a pharmaceutical compound with the CAS number 540737-29-9. It is a white to off-white crystalline powder, soluble in water, and commonly used as an inhibitor of Janus kinase (JAK) enzymes. Its chemical formula is C21H22N4O6S2·C6H8O7.

What are the main uses of Tofacitinib Citrate (CAS: 540737-29-9)?

Tofacitinib Citrate is primarily used in the treatment of autoimmune diseases such as rheumatoid arthritis and psoriasis. It is also employed in research for studying JAK signaling pathways and in the development of targeted therapies for inflammatory conditions.

Is Tofacitinib Citrate (CAS: 540737-29-9) safe?

Tofacitinib Citrate is generally considered safe when used as directed, but it may cause side effects such as infections, gastrointestinal issues, and liver enzyme elevation. Proper handling and adherence to safety guidelines are essential to minimize risks during storage and use.

How should Tofacitinib Citrate (CAS: 540737-29-9) be stored?

Tofacitinib Citrate should be stored in a cool, dry place away from light. It is typically kept at a temperature between 15°C and 30°C, with humidity levels below 60%. Use airtight containers to maintain stability and prevent degradation.