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Chemical structure of Abrocitinib (PF-04965842)

GC32023

Abrocitinib (PF-04965842)

Also known as N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]propane-1-sulfonamide

Abrocitinib (PF-04965842) is a orally active and selective Janus kinase (JAK) inhibitor with IC50 values of 29nM and 803nM for JAK1 and JAK2, respectively

ChemicalCAS1622902-68-4MW323.41FormulaC14H21N5O2S
CAS number
1622902-68-4
Molecular weight
323.41
Formula
C14H21N5O2S
Solubility
DMSO ： 125 mg/mL (386·51 mM)
InChIKey
IUEWXNHSKRWHDY-UHFFFAOYSA-N
Catalogue number
GC32023
Brand
GLPBIO
Computed properties PubChem CID 78323835 · XLogP 1.7 · TPSA 99.4 Ų · H-bond donors 2
XLogP
1.7
TPSA
99.4 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
22

SMILES CCCS(=O)(=O)NC1CC(C1)N(C)C2=NC=NC3=C2C=CN3

Computed descriptors from PubChem (CID 78323835), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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