基本情報
- CAS
211311-95-4- 標準SMILES
CC(CNS(=O)(=O)C(C)C)c1ccc(-c2ccc(C#N)cc2)cc1- InChIKey
HOQAVGZLYRYHSO-UHFFFAOYSA-N- 分子式
- C19H22N2O2S
- 平均分子量
- 342.5 g/mol
- 単同位体質量
- 342.14019912
名称と識別子
- 優先名称
- N-(2-(4'-Cyano-[1,1'-biphenyl]-4-yl)propyl)propane-2-sulfonamide
- IUPAC
- N-[2-[4-(4-cyanophenyl)phenyl]propyl]propane-2-sulfonamide
- 英語名
- N-(2-(4'-cyanobiphenyl-4-yl)propyl)propane-2-sulfonaMide
- 分子式
- C19H22N2O2S
- 分子量
- 342.46
名称と別名
211311-95-4N-(2-(4'-Cyano-[1,1'-biphenyl]-4-yl)propyl)propane-2-sulfonamideLY-404187LY404187LY 404187N-[2-[4-(4-cyanophenyl)phenyl]propyl]propane-2-sulfonamide75W6I8W6OUCHEMBL435582N-2-(4-(4-Cyanophenyl)phenyl)propyl 2-propanesulfonamide2-Propanesulfonamide, N-(2-(4'-cyano(1,1'-biphenyl)-4-yl)propyl)-N-(2-(4'-cyanobiphenyl-4-yl)propyl)propane-2-sulfonamideLY-404,187
名称をさらに表示
100775CS-2739LY40418LY-404187, 10 mM in DMSON-2-(4-(4-Cyanophenyl)phenyl)propyl-2-propanesulfonamide
2-Propanesulfonamide, N-[2-(4'-cyano[1,1'-biphenyl]-4-yl)propyl]-N-(2-{4'-CYANO-[1,1'-BIPHENYL]-4-YL}PROPYL)PROPANE-2-SULFONAMIDEN-{2-[4-(4-cyanophenyl)phenyl]propyl}propane-2-sulfonamideMFCD07364003UNII-75W6I8W6OUGTPL4249orb1299575SCHEMBL2134262
データベース識別子
- CAS
211311-95-4- PubChem CID
- 9928016
- DTXSID
物性
構造計算による物性
- XLogP
- 3.8
- 極性表面積
- 78.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 6
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 527
実験および物理化学的性質
LogP3.5
物理化学的性質
- 沸点
- 519 · 519.0±60.0 °C(Predicted)
- 比重(密度)
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- 15 mg/mL; · DMF: 15mg/mL; DMSO: 15mg/mL; DMSO:PBS (pH 7.2) (1:4): 0.2mg/mL; Ethanol: 3mg/mL
- 外見
- A solid
- 酸解離定数(Pka)
- 11.24 · 11.24±0.40(Predicted)
- 色
- White to off-white
化学と産業
応用分野
説明LY404187 is a benzothiadiazide positive allosteric modulator of AMPA receptors. It increases glutamate-induced activation of GluR1i, -2i, -2o, -3i, and -4i subunit-containing AMPA receptors with EC50 values of 5.65, 0.15, 1.44, 1.66, and 0.21 μM, respectively, in a calcium influx assay. LY404187 is selective for these AMPA receptors over GluR6 subunit-containing kainate receptors at 10 μM. LY404187 increases currents induced by glutamate and AMPA in rat prefrontal cortex pyramidal neurons (EC50s = 1.3 and 1.2 μM, respectively) but not in AMPA-stimulated primary rat embryonic hippocampal or primary cerebellar Purkinje neurons. LY404187 prevents decreases in the number of dopaminergic neurons in the substantia nigra induced by MPTP and 6-OHDA in mouse and rat, respectively, models of Parkinson’s disease when administered at a dose of 0.5 mg/kg per day.
使用LY 404187 is a novel positive allosteric modulator of AMPA receptors.
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