2,2,6,6-tetramethylpiperidin-4-yl heptanoate hydrochloride

• ChemBase编号: 153937
• 分子式: C16H32ClNO2
• 平均质量: 305.88378
• 单一同位素质量: 305.21215695
• SMILES: CCCCCCC(=O)OC1CC(NC(C1)(C)C)(C)C.Cl
• Canonical SMILES: CCCCCCC(=O)OC1CC(C)(C)NC(C1)(C)C.Cl
• InChI: InChI=1S/C16H31NO2.ClH/c1-6-7-8-9-10-14(18)19-13-11-15(2,3)17-16(4,5)12-13;/h13,17H,6-12H2,1-5H3;1H
• InChIKey: XIDDVJIJIFWGIX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,6,6-tetramethylpiperidin-4-yl heptanoate hydrochloride
• IUPAC传统名: 2,2,6,6-tetramethylpiperidin-4-yl heptanoate hydrochloride
• 别名: 2,2,6,6-Tetramethylpiperidin-4-yl heptanoate hydrochloride; TMPH hydrochloride

登记号

• CAS号: 849461-91-2
• MDL号: MFCD08277030
• PubChem SID: 24724633; 162248076
• PubChem CID: 16079014

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.20716822
• LogD (pH = 7.4): 0.6453654
• Log P: 3.4394205
• 摩尔折射率: 78.7141 cm^3
• 极化性: 31.763924 Å^3
• 极化表面积: 38.33 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble22 mg/mL at ~60 °C
• 外观: white solid

安全信息

• 保存条件: under inert gas
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38-43
• 安全公开号: 26-36/37
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H317-H319-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: (Product is pure based on CHN, NMR and MS results)
• Empirical Formula (Hill Notation): C16H32ClNO2

详细说明

Sigma Aldrich - T5576

Biochem/physiol Actions
2,2,6,6-tetramethylpiperidin-4-yl heptanoate (TMPH) is a potent inhibitor of neuronal nicotinic receptors. Evaluation of nicotinic acetylcholine receptor (nAChR) subunits expressed in Xenopus laevis oocytes indicated that TMPH can produce a potent and long-lasting inhibition of neuronal nAChR formed by the pairwise combination of the most abundant neuronal alpha (i.e., alpha3 and alpha4) and beta subunits (beta2 and beta4), with relatively little effect, because of rapid reversibility of inhibition, on muscle-type (alpha1beta1gammadelta) or alpha7 receptors. However, the inhibition of neuronal beta subunit-containing receptors was also decreased if any of the nonessential subunits alpha5, alpha6, or beta3 were coexpressed. This decrease in inhibition is shown to be associated with a single amino acid present in the second transmembrane domain of these subunits. TMPH abilitty to relate the diverse central nervous system effects to specific nAChR subtypes makes it a useful tool for studying the functional roles of nAChR.