(3R,4S)-Tofacitinib

cas: 1092578-46-5 — see every product listed under this CAS number, including other names

(3R,4S)-Tofacitinib (CAS 1092578-46-5) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg. Offered by: Biosynth.

brandBiosynth
catalog numberSTB57846-1mg
cas1092578-46-5
size1mg
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properties

categoryImpurities
purityNo data
delivery time4-6 weeks
Structural formula: {0} (CAS {1})

(3r,4s)-Tofacitinib is a N-acylpiperidine.

Source: ChEBI

Identity
Molecular formulaC16H20N6O
Molecular weight312.37 g/mol
IUPAC name3-[(3R,4S)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
InChIKeyUJLAWZDWDVHWOW-AAEUAGOBSA-N
SMILESC[C@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N

Computed by PubChem (NCBI)

Synonyms: Epitofacitinib, (3R,4S)-, (3R,4S)-Tofacitinib, (3R,4S)-(+)-Tofacitinib isomer, Tofacitinib Impurity 1, 1092578-46-5(free base), Tofacitinib Impurity O, TRANS-TOFACITINIB
Related forms of this compound
3-[(3S,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile C16H20N6O
3-[(3S,4S)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile C16H20N6O
3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile C16H20N6O
3-[(3R,4S)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile C16H20N6O
3-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile C16H20N6O
3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile C16H20N6O
Isomers (same molecular formula)
2-cyano-N-methyl-N-[(3R,4R)-4-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide C16H20N6O
3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]-3-oxopropanenitrile C16H20N6O

Also listed as

Tofacitinib Impurity 42 Chemat Brand CAS 1092578-46-5
Tofacitinib Impurity 28 Chemat Brand CAS 1092578-46-5
(3R,4S)-Tofacitinib, >95% (HPLC) TRC CAS 1092578-46-5
(3R,4S)-Tofacitinib 98% Ambeed CAS 1092578-46-5
(3R,4S)-4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-1-piperidinepropanenitrile, 98%, 98% Chemat CAS 1092578-46-5
(3R,4S)-Tofacitinib, 99.88% MedChemExpress CAS 1092578-46-5
3-((3R,4S)-4-Methyl-3-(Methyl(7H-pyrrolo[2,3-d]pyriMidin-4-yl)aMino)piperidin-1-yl)-3-oxopropanenitrile, 98% Fluorochem CAS 1092578-46-5
Tofacitinib Impurity 20 Chemat Brand CAS 1092578-48-7+1092578-46-5
Tofacitinib Impurity 26 Hubei YoungXin CAS 1092578-46-5&1092578-48-7