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Chemical structure of Deuruxolitinib

GC71575

Deuruxolitinib

Also known as (3R)-3-(2,2,3,3,4,4,5,5-octadeuteriocyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile

Deuruxolitinib, a deuterated Ruxolitinib , modulates the activity of JAK1/JAK2

ChemicalCAS1513883-39-0MW314.41FormulaC17H10D8N6
CAS number
1513883-39-0
Molecular weight
314.41
Formula
C17H10D8N6
Solubility
DMSO ： ≥ 125 mg/mL (397·57 mM)
InChIKey
HFNKQEVNSGCOJV-FBXGHSCESA-N
Catalogue number
GC71575
Brand
GLPBIO
Computed properties PubChem CID 72704611 · XLogP 2.1 · TPSA 83.2 Ų · H-bond donors 1
XLogP
2.1
TPSA
83.2 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23

SMILES [2H]C1(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3)[2H]

Computed descriptors from PubChem (CID 72704611), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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