4-[5-(4-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]pyridine

• ChemBase编号: 129169
• 分子式: C17H23N3O
• 平均质量: 285.38402
• 单一同位素质量: 285.18411237
• SMILES: C1CC(CCCC)CCC1c1onc(n1)c1ccncc1
• Canonical SMILES: CCCCC1CCC(CC1)c1onc(n1)c1ccncc1
• InChI: InChI=1S/C17H23N3O/c1-2-3-4-13-5-7-15(8-6-13)17-19-16(20-21-17)14-9-11-18-12-10-14/h9-13,15H,2-8H2,1H3
• InChIKey: OAVLEYPTWABFLF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[5-(4-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]pyridine
• IUPAC传统名: 4-[5-(4-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]pyridine
• 别名: PSN-375,963; 4-[5-(4-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]-pyridine; PSN-375963

登记号

• CAS号: 388575-52-8
• MDL号: MFCD01829706
• PubChem SID: 162223466
• PubChem CID: 2875918
• 维基百科标题: PSN-375,963

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.667191
• LogD (pH = 7.4): 4.667768
• Log P: 4.667775
• 摩尔折射率: 93.9228 cm^3
• 极化性: 32.427986 Å^3
• 极化表面积: 51.81 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO: >10 mg/mL
• 外观: white to off-white powder

安全信息

• 德国WGK号: nwg
• 保存温度: -20°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C17H23N3O

详细说明

Sigma Aldrich - P0028

Biochem/physiol Actions
PSN-375963 is a GPR119 partial agonist. GPR119 is an orphan GPCR, expressed predominantly in pancreas and GI tract, that has been characterized. Its endogenous ligands are oleoylethanolamide (OEA) and oleoyl-lysophosphatidylcholine, lipid signaling molecules that regulate food intake and body weight. OEA decreases food intake, so GPR119 agonists are potential therapies for obesity. Initial studies showed that PSN-375963 has similar potency and partial efficacy compared to OEA. Further studies revealed that although OEA and PSN-375963 are GPR119 agonists, they have divergent effects on insulin secretion, calcium signaling, and cAMP production.