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ChemicalBook--->CAS DataBase List--->477600-74-1

477600-74-1

477600-74-1 Structure

477600-74-1 Structure
IdentificationBack Directory
[Name]

N-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
[CAS]

477600-74-1
[Synonyms]

TF-G
Tofacitinib-11
Tofacitinib IMpurity M
tofacitinib intermediate
Tofacitinib N-Descyanoacetyl
H-Pyrrolo[2,3-d]pyriMidin-4-aMine
Tofacitinib N-Descyanoacetyl Impurity
N-Methyl-N-[(3R,4R)-4-Methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]
(3R,4R)-N,4-diMethyl-N-{7H-pyrrolo[2,3-d]pyriMidin-4-yl}piperidin-3-aMine
N-Methyl-N-[(3R,4R)-4-methyl-3-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
N-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amin
N-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-1H-pyrrolo[2,3-d]pyrimidin-4-amine
N-methyl-N-((3S,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
N-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
(3R,4R)-Methyl{(4-Methylpiperidin-3-yl)(7H-pyrrolo[2,3-d]pyriMidin-4-yl)}aMine
7H-Pyrrolo[2,3-d]pyriMidin-4-aMine, N-Methyl-N-[(3R,4R)-4-Methyl-3-piperidinyl]-
1H-Pyrrolo[2,3-d]pyriMidin-4-aMine,N-Methyl-N-[(3R,4R)-4-Methyl-3-piperidinyl]- (9CI)
N-Methyl-N-((3R,4R)-4-Methyl-piperidin-3-yl)-N-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-aMine
N-METHYL-N-((3R,4R)-4-METHYLPIPERIDIN-3-YL)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE (CAS NO.477600-74-1)
Tofacitinib impurity 7/N-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
N-Methyl-N-((3R,4R)-4-Methylpiperidin-3-yl)-7HMethylpiperidin-3-yl)-7Hpyrrolo[ 2,3-d]pyriMidin-4-aMine
[Molecular Formula]

C13H19N5
[MDL Number]

MFCD09878608
[MOL File]

477600-74-1.mol
[Molecular Weight]

245.323
Chemical PropertiesBack Directory
[Melting point ]

157 - 162°C
[density ]

1?+-.0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,2-8°C
[solubility ]

Aqueous Acid (Slightly), Methanol (Slightly), Water (Slightly, Heated)
[form ]

Solid
[pka]

13.36±0.50(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C13H19N5/c1-9-3-5-14-7-11(9)18(2)13-10-4-6-15-12(10)16-8-17-13/h4,6,8-9,11,14H,3,5,7H2,1-2H3,(H,15,16,17)/t9-,11+/m1/s1
[InChIKey]

XRIARWQZLGCQDM-KOLCDFICSA-N
[SMILES]

C1=NC(N(C)[C@@H]2[C@H](C)CCNC2)=C2C=CNC2=N1
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard InformationBack Directory
[Description]

N-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine(477600-74-1) is an important pharmaceutical intermediate that is a by-product of the preparation of tofacitinib. Tofacitinib belongs to a class of Janus kinase (JAK) inhibitors used in the treatment of rheumatoid arthritis and psoriatic arthritis.
[Uses]

N-Methyl-N-((3S,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine(477600-74-1), is an intermediate in the synthesis of (3S,4R)-Tofacitinib (T528010), an enantiopure stereoisomer of the drug, Janus kinase 3(Jak3) inhibitor (CP-690,550) that has been found to inhibit selected members of the STE7 and STE20 subfamily of kinases.
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