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)

Description:

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) is a complex organic compound characterized by its multi-functional groups, including a piperidine ring, a pyrrolopyrimidine moiety, and a tricarboxylate structure. The presence of these functional groups suggests potential biological activity, possibly as a pharmaceutical agent. The compound's stereochemistry, indicated by the (3R,4R) configuration, implies specific spatial arrangements that can influence its reactivity and interaction with biological targets. The nitrile and carboxylate groups may contribute to its solubility and reactivity in various chemical environments. Additionally, the compound's molecular structure suggests potential for hydrogen bonding and other intermolecular interactions, which could be relevant in drug design and development. Overall, this compound's unique structural features and functional groups make it a subject of interest in medicinal chemistry and related fields.

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(C)(C1=C2C(NC=C2)=NC=N1)[C@H]3CN(C(CC#N)=O)CC[C@H]3C.C(CC(O)=O)(CC(O)=O)(C(O)=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
• 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)
• Tofacitinib Citratet
• Tasocitinib citrate salt
• CP-690550 citrate
• CP-690550 Citrate (Tofacitinib Citrate)
• Tofacitinib (CP-690550) Citrate
• Tofacititinib cirate
• Tofacitinib (Tasocitinib, CP-690550)
• CP-690550 (Tofacitinib citrate)
• Tofacitinib citric acid salt
• Tofacitinib citrate (CP-690550)
• Tofacitinib API
• Citrate Tropsch iMatinib

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

Ref: 7W-GX6522

Tofacitinib Citrate

CAS: 540737-29-9

Tofacitinib Citrate

Purity: 99%

Molecular weight: 504.49g/mol

Ref: 54-OR1024993

Tofacitinib Citrate

CAS: 540737-29-9

Tofacitinib Citrate

Purity: ≥98%

Molecular weight: 504.49g/mol

Ref: 54-BUP17793

Tofacitinib Citrate

CAS: 540737-29-9

Formula: C₁₆H₂₀N₆O·C₆H₈O₇

Color and Shape: White To Off-White Solid

Molecular weight: 312.38 192.12

Ref: 4Z-T-117001

Tofacitinib-d3 Citrate

CAS: 540737-29-9

Formula: C₁₆H₁₇D₃N₆O·C₆H₈O₇

Color and Shape: White To Off-White Solid

Molecular weight: 315.40 192.12

Ref: 4Z-T-117002

Tofacitinib Citrate

CAS: 540737-29-9

Color and Shape: Neat

Ref: 86-MM3734.00

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: 99.19% - 99.75%

Color and Shape: Solid

Molecular weight: 504.49

Ref: TM-T2398

Tofacitinib-13C-d3 Citrate

CAS: 540737-29-9

Formula: CC₁₅H₁₇D₃N₆O·C₆H₈O₇

Molecular weight: 316.39 192.12

Ref: 4Z-T-117089

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

Ref: 3D-BT163661