Brepocitinib
[CAS# 1883299-62-4]

Identification

• Name: Brepocitinib
• Synonyms: [(1S)-2,2-difluorocyclopropyl]-[(1R,5S)-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
• Molecular Formula: C₁₈H₂₁F₂N₇O
• Molecular Weight: 389.40
• CAS Registry Number: 1883299-62-4
• SMILES: CN1C=C(C=N1)NC2=NC=CC(=N2)N3C[C@H]4CC[C@@H](C3)N4C(=O)[C@@H]5CC5(F)F

Properties

• Density: 1.6±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.756, Calc.^*
• Boiling Point: 637.1±65.0 ºC (760 mmHg), Calc.^*
• Flash Point: 339.1±34.3 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.