1-{[1-(2H3)methylpiperidin-2-yl](2H2)methyl}-3-(naphthalene-1-carbonyl)-1H-indole

• ChemBase编号: 159760
• 分子式: C26H26N2O
• 平均质量: 382.49744
• 单一同位素质量: 382.20451346
• SMILES: c1ccc2c(c1)c(cn2CC1CCCCN1C)C(=O)c1c2c(ccc1)cccc2
• Canonical SMILES: CN1CCCCC1Cn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2
• InChI: InChI=1S/C26H26N2O/c1-27-16-7-6-11-20(27)17-28-18-24(22-13-4-5-15-25(22)28)26(29)23-14-8-10-19-9-2-3-12-21(19)23/h2-5,8-10,12-15,18,20H,6-7,11,16-17H2,1H3
• InChIKey: URKVBEKZCMUTQC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-{[1-(^2H₃)methylpiperidin-2-yl](^2H₂)methyl}-3-(naphthalene-1-carbonyl)-1H-indole
• IUPAC传统名: 1-{[1-(^2H₃)methylpiperidin-2-yl](^2H₂)methyl}-3-(naphthalene-1-carbonyl)indole
• 别名: [1-[(1-Methyl-2-piperidinyl)methyl]-1H-indol-3-yl]-1-naphthalenylmethanone-d5; AM-1220-d5

登记号

• PubChem SID: 162253895
• PubChem CID: 71313127

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.6898265
• LogD (pH = 7.4): 4.411314
• Log P: 5.673291
• 摩尔折射率: 118.8982 cm^3
• 极化性: 48.60585 Å^3
• 极化表面积: 25.24 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - A575837

Labelled AM-1220. AM-1220 is a synthetic cannabimimetic indole derivative. AM-1220 acts as a potent and moderately selective agonist for the cannabinoid receptor CB1 with around 19 times the selectivity for CB1 over CB2 receptor.

参考文献

• Jarbe, T.U.C. et al.: Psychopharmacology, 216, 355 (2011)
• D'Ambra, T.E. et al.: Bioorg. Med. Chem. Lett., 6, 17 (2011)