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Chemical structure of Solcitinib

GC19334

Solcitinib

Also known as N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

Solcitinib is an orally active, competitive, potent, selective JAK1 inhibitor, with an IC50 of 9·8 nM, and 11-, 55- and 23-fold selectivity over JAK2, JAK3 and TYK2, respectively; Solcitinib is used in the research of moderate-to-severe plaque-type psoriasis

ChemicalCAS1206163-45-2MW389.45FormulaC22H23N5O2
CAS number
1206163-45-2
Molecular weight
389.45
Formula
C22H23N5O2
Solubility
DMSO : 20 mg/mL (51·35 mM)
InChIKey
MPYACSQFXVMWNO-UHFFFAOYSA-N
Catalogue number
GC19334
Brand
GLPBIO
Computed properties PubChem CID 44603362 · XLogP 2.8 · TPSA 79.6 Ų · H-bond donors 1
XLogP
2.8
TPSA
79.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
29

SMILES CC1(CN(C1)C(=O)C2=CC=C(C=C2)C3=CC=CC4=NC(=NN43)NC(=O)C5CC5)C

Computed descriptors from PubChem (CID 44603362), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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