N-Methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine , 95% , 477600-74-1

CAS NO.：477600-74-1

Empirical Formula: C13H19N5

Molecular Weight: 245.32

MDL number: MFCD09878608

PRODUCT Properties

• Melting point: 157 - 162°C
• Density: 1?+-.0.06 g/cm3(Predicted)
• storage temp.: 2-8°C(protect from light)
• 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

Description and Uses

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

N-Methyl-N-((3S,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, 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.

Safety

• 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