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Tofacitinib Impurity 6

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Tofacitinib Impurity 6 Basic information

Product Name:
Tofacitinib Impurity 6
Synonyms:
  • N-((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
  • Tofacitinib-21
  • Tofacitinib impurity 14/5,6-Dihydro Tofacitinib/3-((3R,4R)-3-((6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile
  • Tofacitinib impurity 15/5,6-Dihydro Tofacitinib Citrate/3-((3R,4R)-3-((6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile 2-hydroxypropane-1,2,3-tricarboxylate
  • Tofacitinib Impurity 39
  • 5,6-Dihydro CP-690550
  • 3-((3R,4R)-3-((6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile
  • Tofacitinib Related Compound 21
CAS:
1640972-35-5
MF:
C16H22N6O
MW:
314.39
Mol File:
1640972-35-5.mol
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Tofacitinib Impurity 6 Chemical Properties

Melting point:
>80°C (dec.)
Boiling point:
583.2±50.0 °C(Predicted)
Density 
1.239±0.06 g/cm3(Predicted)
storage temp. 
-20°C Freezer
solubility 
DMSO (Slightly), Methanol (Slightly)
pka
6.04±0.60(Predicted)
form 
Solid
color 
Pale Yellow to Yellow
InChI
InChI=1S/C16H22N6O/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/h10-11,13H,3-5,7-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
InChIKey
PEURVXMHTIUQCG-YPMHNXCESA-N
SMILES
N([C@@H]1[C@@H](CCN(C1)C(=O)CC#N)C)(C1N=CN=C2NCCC=12)C
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Tofacitinib Impurity 6 Usage And Synthesis

Uses

5,6-Dihydro CP-690550 is an impurity of CP-690550 (C781350), a pyrrolo[2,3-d]pyrimidine derivative, as Janus kinase inhibitor for treatment of rheumatoid arthritis.

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