C16H20N6O
312.37 g/mol
APIDanger
Tofacitinib
CAS477600-75-2EC689-145-4
Category
API
Compound Class
Heterocycle
Primary Use
Pharmaceutical Raw Material
Tofacitinib is a pyrrolopyrimidine compound that functions as an active pharmaceutical ingredient. It acts as an inhibitor of non-specific protein-tyrosine kinase and is used in the manufacturing of medications for inflammatory conditions.
pharmaceutical manufacturingprotein kinase inhibitor research
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
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CAS 477600-75-2
Related Compounds
StrongSame Parent
Tofacitinib citrate
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SimilarStructure SimilarSimilarity 0.78
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Referencestereoisomer of
(3S,4S)-4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-beta-oxo-1-piperidinepropanenitrile
CAS1092578-47-6
pharmaceutical raw material
Referencesame scaffold
N-Methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine hydrochloride
CAS1260590-51-9
pharmaceutical raw material
Safety Reference
Danger
H301Toxic if swallowed
H302Harmful if swallowed
H311Toxic in contact with skin
H315Causes skin irritation
H319Causes serious eye irritation
H331Toxic if inhaled
H335May cause respiratory irritation
H351Suspected of causing cancer
H360May damage fertility or the unborn child
H373May cause damage to organs through prolonged or repeated exposure
Identifiers
IUPAC Name
3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
InChIKey
UJLAWZDWDVHWOW-YPMHNXCESA-N
SMILES
C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N
Synonyms (32)
- Tofacitinib (USAN)
- 3eyg
- 3fup
- 3lxk
- 477600-75-2 (free base)
- 4oti
- CP-690550 FREE BASE
- CP690,550
- Cp-690 free base
- Tasocitinib
- Tofacitinib
- Tofacitinib (CP-690550)
- Tofacitinib (Standard)
- Tofacitinib Base
- rac-Tofacitinib
- racemic-Tasocitinib
- racemic-tofacitinib
- tofacitinibum