SK&F 95601
Basic information
- CAS
103949-62-8- Standard SMILES
COc1ccc2nc(S(=O)Cc3nccc(N4CCOCC4)c3Cl)[nH]c2c1- InChIKey
OGHHMBMLUJWHGH-UHFFFAOYSA-N- Molecular formula
- C18H19ClN4O3S
- Average molar mass
- 406.9 g/mol
- Monoisotopic mass
- 406.0866393
Overview
structure given in first source; H+/K+-ATPase inhibitor
Names & identifiers
- Preferred name
- SK&F 95601
- IUPAC
- 4-[3-chloro-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine
- English name
- SK&F 95601
- Molecular formula
- C18H19ClN4O3S
- Molecular weight
- 406.89
Names & synonyms
103949-62-8SK&F-95601Skf 95601SK&F 95601RefChem:1833132-(((3-Chloro-4-morpholino-2-pyridyl)methyl)sulfinyl)-5-methoxy-(1H)-benzimidazole4-[3-chloro-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]pyridin-4-yl]morpholine1H-Benzimidazole,2-[[[3-chloro-4-(4-morpholinyl)-2-pyridinyl]methyl]sulfinyl]-6-methoxy-1H-Benzimidazole, 2-[[[3-chloro-4-(4-morpholinyl)-2-pyridinyl]methyl]sulfinyl]-6-methoxy-;1H-Benzimidazole, 2-[[[3-chloro-4-(4-morpholinyl)-2-pyridinyl]methyl]sulfinyl]-6-methoxy-OGHHMBMLUJWHGH-UHFFFAOYSA-Nskf95601CHEMBL59399
Show more names
F95601F-95601F 95601F 95601|||SKF95601|||SKF 95601|||SKF-956011H-Benzimidazole, 2-[[[3-chloro-4-(4-morpholinyl)-2-pyridinyl]methyl]sulfinyl]-6-methoxy-
orb1699295SCHEMBL3765063DTXSID00908678EX-A13822AKOS0407495074-(3-chloro-2-(((6-methoxy-1H-benzo[d]imidazol-2-yl)sulfinyl)methyl)pyridin-4-yl)morpholineT287871H-Benzimidazole, 2-(((3-chloro-4-(4-morpholinyl)-2-pyridinyl)methyl)sulfinyl)-5-methoxy-
Database identifiers
- CAS
103949-62-8- PubChem CID
- 128449
- DTXSID
DTXSID00908678- ChEMBL
CHEMBL59399- Nikkaji
- J511.186B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 525
Physicochemical properties
- Boiling point
- 686.9 · 686.9±65.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 8.7 · 8.70±0.10(Predicted)
Chemistry & industry
Applications
DescriptionSK&F-95601 is a proton pump inhibitor potentially for treatment of gastric ulcer.
UsesSKF 95601 is a modulator of small conductive Ca2+-activated K+ channels with anti-atrial fibrillation (AF) activity. SKF 95601 may play a role in inhibiting atrial fibrillation by affecting the interaction between intracellular Ca2+ concentration and membrane potential. SKF 95601 has become a potential inhibitory target against atrial fibrillation due to its significant expression in various species, especially human atria[1].
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Compound notes
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