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#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
See more synonyms
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)

Found 9 products.

Product data	Purity	Price range	Estimated delivery
Tofacitinib Citrate REF: 4Z-T-117001CAS: 540737-29-9	- - -	232.00 €~1,017.00 €	Thu 24 Apr 25
Tofacitinib Citrate REF: 54-OR1024993CAS: 540737-29-9	99%	43.00 €~1,363.00 €	Thu 24 Apr 25
Tofacitinib Citrate REF: 54-BUP17793CAS: 540737-29-9	99.75%	198.00 €~1,274.00 €	Thu 24 Apr 25
Tofacitinib citrate REF: 7W-GX6522CAS: 540737-29-9	≥ 98.0%	118.00 €~234.00 €	Thu 24 Apr 25
Tofacitinib-d3 Citrate REF: 4Z-T-117002CAS: 540737-29-9	- - -	To inquire	Thu 24 Apr 25
Tofacitinib Citrate REF: 86-MM3734.00-0250CAS: 540737-29-9	- - -	1,477.00 €	Mon 28 Apr 25
Tofacitinib-13C-d3 Citrate REF: 4Z-T-117089CAS: 540737-29-9	- - -	To inquire	Wed 30 Apr 25
Tofacitinib Citrate REF: TM-T2398CAS: 540737-29-9	99.19% - 99.75%	38.00 €~208.00 €	Wed 30 Apr 25
Tofacitinib citrate REF: 3D-BT163661CAS: 540737-29-9	Min. 98 Area-%	66.00 €~1,012.00 €	Tue 06 May 25