2-(diethylamino)ethyl 2,2-diphenylpentanoate hydrochloride

• ChemBase编号: 105250
• 分子式: C23H32ClNO2
• 平均质量: 389.95868
• 单一同位素质量: 389.21215695
• SMILES: Cl.CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1
• Canonical SMILES: CCCC(c1ccccc1)(c1ccccc1)C(=O)OCCN(CC)CC.Cl
• InChI: InChI=1S/C23H31NO2.ClH/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3;/h7-16H,4-6,17-19H2,1-3H3;1H
• InChIKey: FHIKZROVIDCMJA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(diethylamino)ethyl 2,2-diphenylpentanoate hydrochloride
• IUPAC传统名: proadifen hydrochloride
• 别名: α-苯基-α-丙基苯乙酸-2-(二乙氨)乙酯; N,N-二乙氨乙基-2,2-二苯戊酸酯; 普罗地芬 盐酸盐; Proadifen; SK & F 525A HYDROCHLORIDE; SKF-525A; Proadifen hydrochloride; SKF 525-A HCl; proadifen hydrochloride; α-Phenyl-α-Propylbenzeneacetic Acid 2-(Diethylamino)ethyl Ester Hydrochloride; 2,2-Diphenylvaleric Acid 2-(Diethylamino)ethyl Ester Hydrochloride; 2-(Diethylamino)ethyl 2,2-Diphenylvalerate Hydrochloride; Proadifen Hydrochloride; RP 5171; SKF 525; U 5446; SKF-525A Hydrochloride

登记号

• CAS号: 62-68-0
• MDL号: MFCD00055151
• PubChem SID: 24278177; 162092583
• PubChem CID: 65341

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.4307017
• LogD (pH = 7.4): 4.042275
• Log P: 5.6110907
• 摩尔折射率: 107.903 cm^3
• 极化性: 42.511787 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Methanol; Water
• 外观: Off-White Solid
• 熔点: 122-123°C

安全信息

• 保存条件: Refrigerator, Under Inert Atmosphere; Room Temperature (15-30°C)
• 保存注意事项: Store in Freezer
• RTECS编号: YV7175000
• 德国WGK号: 3
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: -20°C

药理学性质

• 作用靶点: Others
• 相关基因信息: human ... NOS1(4842), NOS2(4843), NOS2B(201288), NOS2C(645740), NOS3(4846)

产品相关信息

• 纯度: ≥95%; 99%
• 成盐信息: hydrochloride

详细说明

MP Biomedicals - 02159202

Hydrochloride
Purity: 99%
Inhibits cytochrome P^450 .

Sigma Aldrich - P1061

Biochem/physiol Actions
阻断格列本脲敏感 K+ 通道。抑制神经元性一氧化氮合成酶和细胞色素 P450

Toronto Research Chemicals - S550000

Cytochrome P-459 inhibitor; blocks glibenclamide-sensitive K+ channels; inhibits neuronal nitric oxide synthetase; stimulates endothelial cell prostacyclin while inhibiting platelet thromboxane synthesis.

参考文献

• Boeynaems, J.M., et al.: Prostaglandins Leukotrienes Med., 25, 123 (1986)
• Khan, S., et al.: Biochem. Pharmacol., 45, 439 (1986)
• Salvemini, D., et al.: Br. J. Pharmacol., 108, 162 (1986)
• Satoh, T., et al.: J. Clin. Invest., 91, 409 (1993)