ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
化工社オープンプロジェクト:[email protected]AIアクセス:llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.7.8
  1. ホーム
  2. /化合物

KW-7158

HCID 9844981
ノート反応
基本情報概要名称と識別子物性化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
214764-26-8
標準SMILES
C[C@](O)(C(=O)Nc1cccc2c1C(=O)c1sccc1CS2(=O)=O)C(F)(F)F
InChIKey
NAFSYPCVPLWHFY-HNNXBMFYSA-N
分子式
C16H12F3NO5S2
平均分子量
419.4 g/mol
単同位体質量
419.01089932

概要

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.

名称と識別子

優先名称
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
英語名
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)-
分子式
C16H12F3NO5S2
分子量
419.4

名称と別名

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
名称をさらに表示
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

物性

構造計算による物性

XLogP
2.6
極性表面積
137 Ų
水素結合供与体数
2
水素結合受容体数
9
回転可能結合数
2
重原子数
27
形式電荷
0
複雑度
735

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

物理化学的性質

沸点
718.3 · 718.3±60.0 °C(Predicted)
比重(密度)
1.635 · 1.635±0.06 g/cm3(Predicted)
酸解離定数(Pka)
10.4 · 10.40±0.29(Predicted)

化学と産業

薬理情報

Pharmacodynamics · 1 件

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 件

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.

サプライヤー5 社

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]

関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性化学と産業関連反応化合物ノート

データベース識別子

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