(3R)-3-(prop-2-yn-1-yloxy)-1-azabicyclo[2.2.2]octane

• ChemBase编号: 129692
• 分子式: C10H15NO
• 平均质量: 165.2322
• 单一同位素质量: 165.11536411
• SMILES: O([C@@H]1C2CCN(CC2)C1)CC#C
• Canonical SMILES: C#CCO[C@H]1CN2CCC1CC2
• InChI: InChI=1S/C10H15NO/c1-2-7-12-10-8-11-5-3-9(10)4-6-11/h1,9-10H,3-8H2/t10-/m0/s1
• InChIKey: XVFJONKUSLSKSW-JTQLQIEISA-N

名称和登记号

名称

• IUPAC标准名: (3R)-3-(prop-2-yn-1-yloxy)-1-azabicyclo[2.2.2]octane
• IUPAC传统名: talsaclidine
• 别名: Talsaclidine; (R)-3-(2-Propynyloxy)-1-azabicyclo[2.2.2]octane

登记号

• CAS号: 147025-53-4
• PubChem SID: 162223981
• PubChem CID: 71792
• Chemspider ID: 64819
• 美国药典/FDA物质标识码: 1O8VSL798T
• 维基百科标题: Talsaclidine

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -2.3355896
• LogD (pH = 7.4): -0.64793724
• Log P: 0.7282815
• 摩尔折射率: 48.563 cm^3
• 极化性: 18.811037 Å^3
• 极化表面积: 12.47 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Dichloromethane; Ethyl Acetate
• 外观: Brown Oil

药理学性质

• 生物利用度: 70%
• 排泄: Renal (86%)
• 蛋白结合率: 7%

详细说明

Toronto Research Chemicals - T005600

Talsaclidine, a novel M1-receptor selective muscarinic agonist for cholinergic substitution therapy of Alzheimer's disease. Treatment with the selective muscarinic m1 agonist talsaclidine decreases cerebrospinal fluid levels of A beta 42 in patients with

参考文献

• Hock, et al.: Amyloid, 10(1)
• 1 (1)
• Moreau, M., et al.: J. Pharmacol. Sci., 99, 6 (1)