フロセキナン

Flosequinan

HCID 4474062CAS 76568-02-0

部分構造検索類似構造を探す

基本情報

標準SMILES: Cn1cc(S(C)=O)c(=O)c2ccc(F)cc21
InChIKey: UYGONJYYUKVHDD-UHFFFAOYSA-N
分子式: C11H10FNO2S
平均分子量: 239.27 g/mol
単同位体質量: 239.04162778

概要

Flosequinan is a member of quinolines.

名称と識別子

優先名称: Flosequinan
IUPAC: 7-fluoro-1-methyl-3-methylsulfinylquinolin-4-one
現地名: フロセキナン
英語名: Flosequinan
分子式: C11H10FNO2S
分子量: 239.27

名称と別名

FLOSEQUINAN76568-02-0ManoplaxBTS-49465Flosequinanum4(1H)-Quinolinone, 7-fluoro-1-methyl-3-(methylsulfinyl)-DTXSID10488336NB119DLU7BTS-49-465DTXCID40287597-fluoro-3-methanesulfinyl-1-methyl-1,4-dihydroquinolin-4-one7-fluoro-1-methyl-3-methylsulfinyl-4-quinoline

名称をさらに表示

7-フルオロ-1-メチル-3-メチルスルフィニルキノリン-4(1H)-オン7-フルオロ-1-メチル-3-(メチルスルフィニル)-4(1H)-キノリノンフロセキナンFlosequinonFLOSEQUINAN USP/EP/BPFlosequinan, 10 mM in DMSO7-Huom-1-methyl-3-(methylsulfinyl)-4(1H)-quinolinone7-Fluoro-1-methyl-3-methylsulfinylquinolin-4(1H)-one7-Fluoro-1-methyl-3-(methylsulfinyl)-4(1H)-quinolinone

RefChem:599307C01DB017-Fluoro-1-methyl-3-(methylsulfinyl)quinolin-4(1H)-one7-fluoro-1-methyl-3-methylsulfinylquinolin-4-oneBTS 49 465NCGC00183849-017-fluoro-1-methyl-3-methylsulfinyl-4-quinoloneFlosequinanum [Latin]

データベース識別子

CAS: 76568-02-0
PubChem CID: 4474062
DTXSID: DTXSID1048833
ChEMBL: CHEMBL1908307
ChEBI: CHEBI:134972
UNII: 6NB119DLU7
Nikkaji: J22.166J、J592.636J、J594.241A

物性

構造計算による物性

XLogP: 1.1
極性表面積: 56.6 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 16
形式電荷: 0
複雑度: 369

実験および物理化学的性質

DrugsPharmaceuticals -> Cardiovascular system -> Cardiac therapy

物理化学的性質

融点: 226 · 226-228°
沸点: 423.1 · 423.1±45.0 °C(Predicted)
比重(密度): 1.44 · 1.44±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): -0.51 · -0.51±0.70(Predicted)

化学と産業

薬理情報

ATC Code · 2 件

C - Cardiovascular system

QC - Cardiovascular system

Metabolism/MetabolitesFlosequinan has known human metabolites that include flosequinan sulfone.

MeSH Pharmacological ClassificationDrugs used to cause dilation of the blood vessels.

応用分野 · 2 件

説明Flosequinan is a new mixed arteriolar and venous vasodilator useful for the treatment of patients with congestive heart failure with or without ACE inhibitors, but especially in those patients who are intolerant to ACE inhibitors. It does not cause reflex stimulation of the renin-angiotensin or sympathetic nervous system. How flosequinan achieves its direct vasodilating effect is not clear, it is thought to interfere with protein kinase C and the production of inositol triphosphate. Flosequinan is well absorbed orally, and with the relatively long half-life of its sulfone metabolite it is suitable for once a day administration.

使用Antihypertensive (vasodilator).

上流・下流製品情報

上流原料

水素化ナトリウムよう素酸メチルスルフィドジメチル硫酸 4-フルオロアントラニル酸塩化カルボニル炭酸カリウムオルトぎ酸トリエチルピペリジン 7-フルオロ-3-メタンスルフィニル-1H-キノリン-4-オン 2-クロロ-4-フルオロ安息香酸 7-フルオロ-2H-3,1-ベンゾキサジン-2,4(1H)-ジオン

サプライヤー12 社

LGM Pharma1-(800)-881-8210 · [email protected]

United Life Science020-82099279 18988941402 · [email protected]

上海石洋化工有限公司021-56795766 · [email protected]

上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]

BOC Sciences16314854226; +8616314854226 · [email protected]