2-[5-(3-chlorophenyl)furan-2-yl]-4,5-bis(4-methoxyphenyl)-1H-imidazole

• ChemBase编号: 154308
• 分子式: C27H21ClN2O3
• 平均质量: 456.92024
• 单一同位素质量: 456.12407022
• SMILES: COc1ccc(cc1)c1c(nc([nH]1)c1ccc(o1)c1cccc(c1)Cl)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1ccc(o1)c1cccc(c1)Cl
• InChI: InChI=1S/C27H21ClN2O3/c1-31-21-10-6-17(7-11-21)25-26(18-8-12-22(32-2)13-9-18)30-27(29-25)24-15-14-23(33-24)19-4-3-5-20(28)16-19/h3-16H,1-2H3,(H,29,30)
• InChIKey: FEEOFPAEDSMOTO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[5-(3-chlorophenyl)furan-2-yl]-4,5-bis(4-methoxyphenyl)-1H-imidazole
• IUPAC传统名: 2-[5-(3-chlorophenyl)furan-2-yl]-4,5-bis(4-methoxyphenyl)-3H-imidazole
• 别名: 2-[5-(3-Chlorophenyl)-2-furanyl]-4,5-bis(4-methoxyphenyl)-1H imidazole; Neurodazine

登记号

• CAS号: 937807-66-4
• MDL号: MFCD08906055
• PubChem SID: 162248447
• PubChem CID: 16112820

理论计算性质

• Acid pKa: 10.807786
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 6.388156
• LogD (pH = 7.4): 6.3957744
• Log P: 6.3960233
• 摩尔折射率: 139.0281 cm^3
• 极化性: 54.13527 Å^3
• 极化表面积: 60.28 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: DMSO: >20 mg/mL
• 外观: powder, yellow

安全信息

• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2811
• 德国WGK号: 1
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 25-41
• 安全公开号: 26-39-45
• GHS危险品标识: GHS05; GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H318-H413
• GHS警示性声明: P280-P301 + P310-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3
• 保存温度: -20°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C27H21ClN2O3

详细说明

Sigma Aldrich - N6664

Biochem/physiol Actions
Neurodazine is a promoter of neurogenesis. It induces a generation of new nerve cells from skeletal muscle fibers both immature, differentiated myotubes and mature skeletal muscle. Neurodazine promotes the expression of neuron-specific markers in treated C2C12 cells (neurogenesis). In addition, in conjunction with a microtubule-destabilizing agent, Neurodazine allows neurogenic conversion of both differentiated immature myotubes and mature skeletal muscle. Neurodazine is a potential alternative approach to using stem cells.