1-[2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]-1H-imidazole hydrochloride

• ChemBase编号: 105178
• 分子式: C22H27ClN2O3
• 平均质量: 402.91438
• 单一同位素质量: 402.17102041
• SMILES: Cl.COc1ccc(CCCOC(Cn2ccnc2)c2ccc(OC)cc2)cc1
• Canonical SMILES: COc1ccc(cc1)CCCOC(c1ccc(cc1)OC)Cn1ccnc1.Cl
• InChI: InChI=1S/C22H26N2O3.ClH/c1-25-20-9-5-18(6-10-20)4-3-15-27-22(16-24-14-13-23-17-24)19-7-11-21(26-2)12-8-19;/h5-14,17,22H,3-4,15-16H2,1-2H3;1H
• InChIKey: FWLPKVQUECFKSW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]-1H-imidazole hydrochloride
• IUPAC传统名: 1-[2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]imidazole hydrochloride
• 别名: 1-[2-(4-Methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]imidazole; 1-[β-(3-(4-Methoxyphenyl)propoxy)-4-methoxyphenethyl]-1H-imidazole hydrochloride; SKF-96365; 1-[β-[3-(4-Methoxyphenyl)propoxy]-4-methoxyphenethyl]-1H-imidazole; SK & F 96365 HYDROCHLORIDE

登记号

• CAS号: 130495-35-1
• MDL号: MFCD00236407
• PubChem SID: 162092262; 24278710
• PubChem CID: 104955

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.4278712
• LogD (pH = 7.4): 3.8923674
• Log P: 3.958077
• 摩尔折射率: 106.1308 cm^3
• 极化性: 41.103424 Å^3
• 极化表面积: 45.51 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO: >20 mg/mL; H2O: >20 mg/mL
• 外观: white solid

安全信息

• 保存条件: Room Temperature (15-30°C)
• 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
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥98% (HPLC); 98%

详细说明

MP Biomedicals - 02158992

Hydrochloride
Purity: 98%
Specifically inhibits receptor-mediated calcium entry in platelets, neutrophils, and endothelial cells.

Sigma Aldrich - S7809

Biochem/physiol Actions
SKF-96365 is a selective inhibitor of receptor-mediated Ca2+ entry and voltage-gated Ca2+ entry. In circular smooth muscle bundles isolated from the guinea-pig stomach antrum, the effects of quinidine, Ni2+, flufenamic acid, niflumic acid, La3+, SKF-96365 and 4′-diisothiocyanatostilbene-2,2′-disulphonic acid (DIDS) on acetylcholine (ACh)-induced depolarization were investigated. SKF-96365 (3-50 μM) depolarized the membrane in a concentration-dependent manner, but did not change the level of ACh-induced depolarization. These results provide evidence that ACh-induced depolarization is not inhibited by chemicals known to inhibit non-selective cation channels.

参考文献

• Merrit, J.E., et al., Biochem. J. , 271 : 515, (1990).
• Fasolato, C., et al., J. Biol. Chem. , 265 : 20351, (1990).
• Blayney, L.M., et al., Biochem. J. , 273 : 803, (1991).
• Chan, J. and Greenberg, D.A., Biochem. Biophys. Res. Commun. , 177 : 1141, (1991).