7-ethoxy-3H-phenoxazin-3-one

• ChemBase编号: 104982
• 分子式: C14H11NO3
• 平均质量: 241.24204
• 单一同位素质量: 241.07389322
• SMILES: CCOc1cc2c(cc1)nc1ccc(=O)cc1o2
• Canonical SMILES: CCOc1ccc2c(c1)oc1c(n2)ccc(=O)c1
• InChI: InChI=1S/C14H11NO3/c1-2-17-10-4-6-12-14(8-10)18-13-7-9(16)3-5-11(13)15-12/h3-8H,2H2,1H3
• InChIKey: CRCWUBLTFGOMDD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-ethoxy-3H-phenoxazin-3-one
• IUPAC传统名: ethoxyresorufin
• 别名: Ethoxyresorufin; O7-Ethylresorufin; Resorufin ethyl ether; 7-Ethoxy-3H-phenoxazin-3-one, Resorufin Ethyl Ester; 7-Ethoxy Resorufin; 7-Ethoxy-3H-phenoxazin-3-one; Resorufin ethyl ether; ETHOXYRESORUFIN

登记号

• CAS号: 5725-91-7
• MDL号: MFCD00037661
• Beilstein号: 225973
• PubChem SID: 162091991; 24894527
• PubChem CID: 3294

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.2768912
• LogD (pH = 7.4): 2.2768915
• Log P: 2.2768915
• 摩尔折射率: 71.1555 cm^3
• 极化性: 25.252558 Å^3
• 极化表面积: 47.89 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane
• 外观: Orange-Red Solid
• 熔点: 223-225 °C(lit.); 237-240°C

安全信息

• 保存条件: 0°C, Desiccate, Protect from light; Refrigerator, Under Inert Atmosphere
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

详细说明

MP Biomedicals - 02157964

Fluorimetric substrate for detection of cytochrome P₄50 linked enzymes.

Sigma Aldrich - E3763

Substrates
Fluorimetric substrate for cytochrome P450 linked enzyme, CXPIA1/2

Toronto Research Chemicals - E892875

A fluorimetric substrate for cytochrome P450 IAI. Inhibits vasorelaxant responses to acetylcholine.

参考文献

• Burke, M.D., et al., Biochem. Pharmacol. , 34 : 3337 (1985).
• Donato, M.T., et al.: Anal. Biochem., 213, 29 (1993)
• Oyekan, A.O., et al.: J. Pharmacol. Exp. Ther., 268, 262 (1994)