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KW-7158

HCID 9844981
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Grundinformationen

CAS
214764-26-8
Standard-SMILES
C[C@](O)(C(=O)Nc1cccc2c1C(=O)c1sccc1CS2(=O)=O)C(F)(F)F
InChIKey
NAFSYPCVPLWHFY-HNNXBMFYSA-N
Summenformel
C16H12F3NO5S2
Durchschnittliche Molmasse
419,4 g/mol
Monoisotopische Masse
419,01089932

Überblick

KW-7158 is a tricyclic compound with a non-cholingergic mechanism of action for the treatment of "urinary urgency," "frequent urination" and "urinary incontinence" associated with bladder overactivity (involuntary abnormal contraction of the bladder). The therapeutic effects of KW-7158 in overactive bladder may be due to the activation of A-type K(+) channels which regulate afferent neuron excitability and firing properties in the dorsal root ganglion neurons.

Namen und Bezeichner

Bevorzugter Name
KW-7158
IUPAC
(2S)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-(5,5,10-trioxo-4H-thieno[3,2-c][1]benzothiepin-9-yl)propanamide
Englischer Name
Propanamide, N-(4,10-dihydro-5,5-dioxido-10-oxothieno[3,2-c][1]benzothiepin-9-yl)-3,3,3-trifluoro-2-hydroxy-2-methyl-, (2S)-
Summenformel
C16H12F3NO5S2
Molmasse
419.4

Namen und Synonyme

KW-7158214764-26-8S2T07V1P1GKW 7158(S)-5,5-Dioxo-9-((3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino)-4,10-dihydrothieno(3,2-C)(1)benzothiepin-10-oneRefChem:151588(2S)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-(2,9,9-trioxo-4,9??-dithiatricyclo(8.4.0.03,?)tetradeca-1(10),3(7),5,11,13-pentaen-14-yl)propanamideUNII-S2T07V1P1G(2S)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-(5,5,10-trioxo-4H-thieno[3,2-c][1]benzothiepin-9-yl)propanamideN-(5,5-dioxo-10-oxo-4,10-dihydrothieno(3,2-c)(1)benzothiepin-9-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamideNAFSYPCVPLWHFY-HNNXBMFYSA-NCHEMBL289288
Weitere Namen anzeigen
KW7158Propanamide, N-(4,10-dihydro-5,5-dioxido-10-oxothieno[3,2-c][1]benzothiepin-9-yl)-3,3,3-trifluoro-2-hydroxy-2-methyl-, (2S)-
orb1700211SCHEMBL4688651AKOS040748692DB05498(S)-N-(5,5-dioxido-10-oxo-4,10-dihydrobenzo[b]thieno[2,3-e]thiepin-9-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamideHY-116927NS00068629(+)-KW-7158

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,6
Polarare Oberfläche (TPSA)
137 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
9
Frei drehbare Bindungen
2
Schwere Atome
27
Formalladung
0
Komplexität
735

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

Physikochemische Eigenschaften

Siedepunkt
718.3 · 718.3±60.0 °C(Predicted)
Dichte
1.635 · 1.635±0.06 g/cm3(Predicted)
pka
10.4 · 10.40±0.29(Predicted)

Chemie und Industrie

Pharmakologische Informationen

Pharmacodynamics · 1 Eintrag

KW-7158 is a tricyclic compound with a non-cholingergic mechanism of action for the treatment of "urinary urgency," "frequent urination" and "urinary incontinence" associated with bladder overactivity (involuntary abnormal contraction of the bladder). As the aging of population progresses, an increasing number of people are likely to suffer from urinary incontinence. Bladder overactivity, the indication for this compound, is estimated to affect around 2.4 million people in Japan and around 20 million in the US and Europe combined. We consider that the market for this therapeutic domain, which is characterised by the predominance of untreated patients, tends to grow. The current mainstay of treatment for bladder overactivity is anti-cholinergic agents, which, however, are associated with high incidences of adverse reactions such as thirst and urination disorder. The development of a new type of drugs, particularly those causing fewer side effects, is thus anticipated.

Mechanism of Action · 1 Eintrag

The therapeutic effects of KW-7158 in overactive bladder may be due to the activation of A-type K(+) channels which regulate afferent neuron excitability and firing properties in the dorsal root ganglion neurons. It is proposed that KW-7158 acts uniquely on the peripheral sensory nerves to control bladder activities by shortenining the action potential duration in DRG neurons.

Anbieter5 Anbieter

上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]
山东子易医药有限公司13173053288 · [email protected]

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Datenbank-Bezeichner

CAS
214764-26-8
PubChem CID
9844981
ChEMBL
CHEMBL289288
UNII
S2T07V1P1G