Products 1092578-47-6

CAS 1092578-47-6 appears in our catalog under these names: Tofacitinib Impurity 48, Tofacitinib Impurity 17, (3S,4S)-Tofacitinib, >95% (HPLC), (3S,4S)-Tofacitinib, (3S,4S)-4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-1-piperidinepropanenitrile, ≥96%, ≥96%. Offered by: Chemat Brand, Hubei YoungXin, TRC, Biosynth, Chemat. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg, 5mg, 100 mg.

Tofacitinib Impurity 48
Chemat Brand
  • size: on request
  • Variants: 1
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Tofacitinib Impurity 17
Hubei YoungXin
  • size: 10mg, 25mg, 50mg, 100mg
  • Variants: 5
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(3S,4S)-Tofacitinib, >95% (HPLC)
TRC
  • size: 10mg, 25mg, 50mg
  • Variants: 3
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(3S,4S)-Tofacitinib
Biosynth
  • size: 5mg, 10mg, 25mg, 50mg
  • Variants: 4
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(3S,4S)-4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-1-piperidinepropanenitrile, ≥96%, ≥96%
Chemat
  • size: 5mg, 10mg, 50mg
  • Variants: 3
from 784.40
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(3S,4S)-Tofacitinib, 99.75%
MedChemExpress
  • size: 100 mg, 50 mg, 25 mg, 10 mg
  • Variants: 6
from 1081.31
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(3S,4S)-Tofacitinib, >=96%
Fluorochem
  • size: 5mg, 10mg, 50mg
  • Variants: 3
from 1309.97
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Tofacitinib Impurity 17
Hubei YoungXin
  • size: 10mg, 25mg, 50mg, 100mg
  • Variants: 5
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Structural formula: {0} (CAS {1})

3-[(3S,4S)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile (CAS 1092578-47-6) is a chemical compound with the molecular formula C16H20N6O and a molecular weight of 312.37 g/mol. IUPAC name: 3-[(3S,4S)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile. InChIKey: UJLAWZDWDVHWOW-WCQYABFASA-N.

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

Computed by PubChem (NCBI)

Synonyms: (3S,4S)-Tofacitinib, (-)-Tofacitinib, Tofacitinib, (3S,4S)-, racemic-Tasocitinib, Tofacitinib Impurity Q, orb1708149
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-[(3R,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
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