(3R,4S)-Tofacitinib , 98% , 1092578-46-5

CAS NO.：1092578-46-5

Empirical Formula: C16H20N6O

Molecular Weight: 312.37

MDL number: MFCD23160057

PRODUCT Properties

• Melting point: >108°C (dec.)
• Density: 1.296
• storage temp.: Refrigerator
• solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Heated)
• form: Solid
• pka: 6.04±0.60(Predicted)
• color: Pale Yellow to Yellow
• InChI: InChI=1/C16H20N6O/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/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13-/s3
• InChIKey: UJLAWZDWDVHWOW-PZILLZCRNA-N
• SMILES: C(#N)CC(N1CC[C@H](C)[C@@H](N(C)C2=NC=NC3NC=CC=32)C1)=O |&1:7,9,r|

Description and Uses

(3R,4S)-Tofacitinib is 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,GHS08
• Signal word: Danger
• Hazard statements: H302-H360
• Precautionary statements: P201-P202-P264-P270-P281-P301+P312-P308+P313-P330-P405-P501