3-(4-bromo-2-methylphenyl)-2-methyl-3,4-dihydroquinazolin-4-one

• ChemBase编号: 153236
• 分子式: C16H13BrN2O
• 平均质量: 329.19122
• 单一同位素质量: 328.02112505
• SMILES: Cc1cc(ccc1n1c(nc2ccccc2c1=O)C)Br
• Canonical SMILES: Brc1ccc(c(c1)C)n1c(C)nc2c(c1=O)cccc2
• InChI: InChI=1S/C16H13BrN2O/c1-10-9-12(17)7-8-15(10)19-11(2)18-14-6-4-3-5-13(14)16(19)20/h3-9H,1-2H3
• InChIKey: CIYGULLCDQXZNK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(4-bromo-2-methylphenyl)-2-methyl-3,4-dihydroquinazolin-4-one
• IUPAC传统名: 3-(4-bromo-2-methylphenyl)-2-methylquinazolin-4-one
• 别名: 3-(4-Bromo-2-methylphenyl)-2-methyl-4(3H)-quinazolinone; 4-Bromomethaqualone; CP-10447; CP 10447; 3-(4-Bromo-o-tolyl)-2-methyl-4(3H)-quinazolinone; CP-10447

登记号

• CAS号: 843-93-6
• MDL号: MFCD17215964
• PubChem SID: 162247375
• PubChem CID: 63773

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.937249
• LogD (pH = 7.4): 3.937249
• Log P: 3.937249
• 摩尔折射率: 84.7282 cm^3
• 极化性: 31.08033 Å^3
• 极化表面积: 32.67 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; DMSO: ≥10 mg/mL
• 外观: white powder; White Solid
• 熔点: 149-151°C

安全信息

• 保存条件: Refrigerator
• 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: 3
• 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
• 安全公开号: 45
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301
• GHS警示性声明: P301 + P310
• RID/ADR: UN 2811 6.1/PG 3
• 毒品管制信息: USDEA Schedule I

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C16H13BrN2O

详细说明

Sigma Aldrich - PZ0120

Biochem/physiol Actions
CP-10447 is an inhibitor of microsomal triglyceride transfer protein (MTP, MTTP).
Legal Information
Sold for research purposes under agreement from Pfizer Inc.

Toronto Research Chemicals - C781200

An inhibitor apolipoprotein B (apoB) and triglyceride secretion in human hepatoma cells (HepG2) by inhibiting MTP activity and stimulating the early ER degradation of apoB. It is useful tool for further study of the mechanisms of apoB secretion and trigly

参考文献

• Haghpassand, M. et al.: J. Lipid. Res., 37, 1468 (1996)
• Pan, M. et al.: J. Biol. chem., 275, 27399 (1996)