5-fluoro-2-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-indole

• ChemBase编号: 126728
• 分子式: C18H19FN4
• 平均质量: 310.3686632
• 单一同位素质量: 310.15937485
• SMILES: n1ccccc1N1CCN(CC1)Cc1cc2cc(F)ccc2[nH]1
• Canonical SMILES: Fc1ccc2c(c1)cc([nH]2)CN1CCN(CC1)c1ccccn1
• InChI: InChI=1S/C18H19FN4/c19-15-4-5-17-14(11-15)12-16(21-17)13-22-7-9-23(10-8-22)18-3-1-2-6-20-18/h1-6,11-12,21H,7-10,13H2
• InChIKey: PQOIDBZLMJMYCD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-fluoro-2-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-indole
• IUPAC传统名: 5-fluoro-2-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-indole
• 别名: CP-226,269; 5-Fluoro-2-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1H-indole; CP-226269; 5-Fluoro-2-{[4-(2-pyridinyl)-1-piperazinyl]methyl}-1H-indole; CP-226269

登记号

• CAS号: 220941-93-5
• MDL号: MFCD07363967
• PubChem SID: 162221056
• PubChem CID: 9796720
• CHEMBL: 77395
• Chemspider ID: 7972486
• 维基百科标题: CP-226,269

理论计算性质

• Acid pKa: 15.733418
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.3496076
• LogD (pH = 7.4): 2.984139
• Log P: 3.1911325
• 摩尔折射率: 90.4863 cm^3
• 极化性: 35.024887 Å^3
• 极化表面积: 35.16 Å^2
• 可自由旋转的化学键: 3
• 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: light tan powder

安全信息

• 保存条件: -20°C Freezer
• 保存温度: -20°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C18H19FN4

详细说明

Sigma Aldrich - PZ0101

Biochem/physiol Actions
CP-226269 is a D4 dopamine receptor agonist with EC50 of 32 nM.
Legal Information
Sold for research purposes under agreement from Pfizer Inc.

Toronto Research Chemicals - C781330

CP-226269 is a D4 dopamine receptor agonist with EC50 of 32 nM for use in treating sexual dysfunction.

参考文献

• Coward, et al.: Anal. Biochem., 270, 242 (1999)
• Lissoni., et al.: Neuroendocrinol. Lett., 21, 405 (1999)
• Martin-Morales, A., et al.: Drugs Today, 39, 51 (1999)