CAS: 540737-29-9 - 1-Piperidinepropanenitrile, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-, (3R,4R)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Formula: C₁₆H₂₀N₆O・C₆H₈O₇

InChI: InChI=1S/C16H20N6O.C6H8O7/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;7-3(8)1-6(13,5(11)12)2-4(9)10/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t11-,13+;/m1./s1

InChI key: InChIKey=SYIKUFDOYJFGBQ-YLAFAASESA-N

SMILES: N#CCC(=O)N1CCC(C)C(N(C=2N=CN=C3NC=CC32)C)C1.O=C(O)CC(O)(C(=O)O)CC(=O)O

Synonyms:

• (3R,4R)-1-(Cyanoacetyl)-4-methyl-N-methyl-N-1H-pyrrolo[2,3-d]pyrimidin-4-yl-3-piperidinamine 2-hydroxy-1,2,3-propanetricarboxylate
• (3R,4R)-4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-beta-oxo-1-piperidinepropanenitrile 2-Hydroxy-1,2,3-propanetricarboxylate
• 1-Piperidinepropanenitrile, 4-Methyl-3-(Methyl-7H-Pyrrolo[2,3-D]Pyrimidin-4-Ylamino)-Beta-Oxo-, (3R,4R)-, 2-Hydroxy-1,2,3-Propanetricarboxylate (1:1)
• 3-Piperidinamine, 1-(cyanoacetyl)-4-methyl-N-methyl-N-1H-pyrrolo[2,3-d]pyrimidin-4-yl-, (3R,4R)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
• Cp 690500-10
• Cp 690550-10
• Tasocitinib citrate
• Tofacitinib citrate
• Tofacitnib Citrate
• Xeljanz
• Xeljanz XR

Tofacitinib Citrate

CAS: 540737-29-9

• Formula: C₁₆H₂₀N₆O·C₆H₈O₇
• Color and Shape: White To Off-White Solid
• Molecular weight: 312.38 192.12

Tofacitinib citrate

CAS: 540737-29-9

• Formula: C₁₆H₂₀N₆O·C₆H₈O₇
• Purity: ≥ 98.0%
• Color and Shape: White to off-white or beige powder
• Molecular weight: 504.49

Tofacitinib-d3 Citrate

CAS: 540737-29-9

• Formula: C₁₆H₁₇D₃N₆O·C₆H₈O₇
• Color and Shape: White To Off-White Solid
• Molecular weight: 315.40 192.12

Tofacitinib Citrate

CAS: 540737-29-9

• Formula: C₁₆H₂₀N₆O·C₆H₈O₇
• Color and Shape: Off-White
• Molecular weight: 504.49

Tofacitinib-13C-d3 Citrate

CAS: 540737-29-9

• Formula: CC₁₅H₁₇D₃N₆O·C₆H₈O₇
• Molecular weight: 316.39 192.12

Tofacitinib Citrate

CAS: 540737-29-9

Tofacitinib Citrate (CP-690550 citrate) is a a potent, cell-permeable inhibitor of JAK1/2/3 (IC50s: 1/20/112 nM).

• Formula: C₂₂H₂₈N₆O₈
• Purity: 99.75%
• Color and Shape: Solid
• Molecular weight: 504.49

Tofacitinib citrate

CAS: 540737-29-9

Inhibits Jak kinases; immunosuppressive; anti-inflammatory

• Formula: C₁₆H₂₀N₆O·C₆H₈O₇
• Purity: Min. 98 Area-%
• Color and Shape: White Powder
• Molecular weight: 504.49 g/mol

Tofacitinib citrate

CAS: 540737-29-9

• Formula: C₂₂H₂₈N₆O₈
• Purity: 99%
• Color and Shape: Solid
• Molecular weight: 504.4931