パロスラン

Palosuran

HCID 10173280

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 540769-28-6
標準SMILES: Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1
InChIKey: WYJCYXOCHXWTHG-UHFFFAOYSA-N
分子式: C25H30N4O2
平均分子量: 418.5 g/mol
単同位体質量: 418.23687621

名称と識別子

優先名称: Palosuran
IUPAC: 1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(2-methylquinolin-4-yl)urea
現地名: パロスラン
英語名: Urea, N-[2-[4-hydroxy-4-(phenylMethyl)-1-piperidinyl]ethyl]-N'-(2-Methyl-4-quinolinyl)-
分子式: C25H30N4O2
分子量: 418.53

名称と別名

Palosuran540769-28-6ACT-0583621-(2-(4-Benzyl-4-hydroxypiperidin-1-yl)ethyl)-3-(2-methylquinolin-4-yl)ureaULD9ZKE4571-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(2-methylquinolin-4-yl)ureaDTXSID002024061-[2-[4-hydroxy-4-(phenylmethyl)piperidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)ureapalosuranum1-(2-(4-hydroxy-4-(phenylmethyl)piperidin-1-yl)ethyl)-3-(2-methylquinolin-4-yl)ureaRefChem:169773DTXCID60124897

名称をさらに表示

パロスラン1-[2-(4-ベンジル-4-ヒドロキシピペリジン-1-イル)エチル]-3-(2-メチルキノリン-4-イル)尿素1-[2-(4-ヒドロキシ-4-ベンジルピペリジノ)エチル]-3-(2-メチルキノリン-4-イル)尿素ACT 058362PALOSURAN,, >98%Palosuran (ACT058362)ACT 058362PALOSURAN,Palosuran, 10 mM in DMSOACT 058362PALOSURAN,, >98%N-[2-[4-Hydroxy-4-(phenylmethyl)-1-piperidinyl]ethyl]-N'-(2-methyl-4-quinolinyl)urea

ACT0583621-(2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl)-3-(2-methylquinolin-4-yl)urea sulfate saltPalosuran [INN]ACT058362 (Palosuran)CHEMBL567303GTPL3516MFCD07772352Urea, N-[2-[4-hydroxy-4-(phenylMethyl)-1-piperidinyl]ethyl]-N'-(2-Methyl-4-quinolinyl)-

データベース識別子

CAS: 540769-28-6
PubChem CID: 10173280
DTXSID: DTXSID00202406
ChEMBL: CHEMBL567303
UNII: ULD9ZKE457
Nikkaji: J2.917.197A

物性

構造計算による物性

XLogP: 3.3
極性表面積: 77.5 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 6
重原子数: 31
形式電荷: 0
複雑度: 572

物理化学的性質

沸点: 612.9 · 612.9±55.0 °C(Predicted)
比重(密度): 1.235 · 1.235±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Store at -20°C
溶解性: 10 mg/ml; · DMF: 10 mg/ml; DMSO: 10 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml; Ethanol: 0.5 mg/ml
外見: A crystalline solid
酸解離定数(Pka): 12.95 · 12.95±0.43(Predicted)
色: White to pink
InChI: 1S/C25H30N4O2/c1-19-17-23(21-9-5-6-10-22(21)27-19)28-24(30)26-13-16-29-14-11-25(31,12-15-29)18-20-7-3-2-4-8-20/h2-10,17,31H,11-16,18H2,1H3,(H2,26,27,28,30)
InChIKey: WYJCYXOCHXWTHG-UHFFFAOYSA-N
SMILES: N3(CCC(CC3)(O)Cc4ccccc4)CCNC(=O)Nc1c2c(nc(c1)C)cccc2

安全と法規制

安全データ

wgk: WGK 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

説明Palosuran is an antagonist of the urotensin II receptor (UTR; IC50s = 3.6 and 1,475 nM for CHO cell membranes expressing human and rat recombinant receptors, respectively). It inhibits contraction of isolated rat aortic rings induced by urotensin II (Item Nos. 24711 | 24753) in a concentration-dependent manner. Palosuran (300 mg/kg twice per day) reduces plasma endothelin-1 , urotensin II, and TGF-β1 levels, as well as the main pulmonary arterial pressure and right ventricular hypertrophy index in a rat model of pulmonary arterial hypertension (PAH) induced by monocrotaline . Palosuran (300 mg/kg per day) reduces serum glucose, cholesterol, and triglyceride levels and increases survival in a rat model of diabetes induced by streptozotocin (STZ; ). It also decreases albuminuria and global kidney lesion scores in STZ-induced diabetic rats.