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Chemical structure of Soraprazan

GC30130

Soraprazan

Also listed as Soraprazan (BYK61359)

Soraprazan (BYK61359) (BYK61359) is a selective, reversible K-competitive inhibitor of the H,K-ATPase (Ki=6·4 nM), with an IC50 of 0·19 μM in gastric glands

ChemicalCAS261944-46-1MW367.44FormulaC21H25N3O3
CAS number
261944-46-1
Molecular weight
367.44
Formula
C21H25N3O3
Solubility
DMSO ： ≥ 150 mg/mL (408·23 mM)
InChIKey
PWILYDZRJORZDR-MISYRCLQSA-N
Catalogue number
GC30130
Brand
GLPBIO
Computed properties PubChem CID 213054 · XLogP 2.8 · TPSA 68 Ų · H-bond donors 2
XLogP
2.8
TPSA
68 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
27

SMILES CC1=C(N2C=CC3=C(C2=N1)N[C@@H]([C@H]([C@@H]3OCCOC)O)C4=CC=CC=C4)C

Computed descriptors from PubChem (CID 213054), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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