6,9-bis[(2-aminoethyl)amino]-5H,10H-benzo[g]isoquinoline-5,10-dione

• ChemBase编号: 129015
• 分子式: C17H19N5O2
• 平均质量: 325.36506
• 单一同位素质量: 325.15387487
• SMILES: O=C1c2c(C(=O)c3c(ccc(NCCN)c13)NCCN)cncc2
• Canonical SMILES: NCCNc1ccc(c2c1C(=O)c1cnccc1C2=O)NCCN
• InChI: InChI=1S/C17H19N5O2/c18-4-7-21-12-1-2-13(22-8-5-19)15-14(12)16(23)10-3-6-20-9-11(10)17(15)24/h1-3,6,9,21-22H,4-5,7-8,18-19H2
• InChIKey: PEZPMAYDXJQYRV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6,9-bis[(2-aminoethyl)amino]-5H,10H-benzo[g]isoquinoline-5,10-dione
• IUPAC传统名: pixantrone
• 别名: Pixantrone; 6,9-Bis[(2-aminoethyl)amino]benz[g]isoquinoline-5,10-dione

登记号

• CAS号: 144510-96-3; 784209-05-8
• PubChem SID: 162223317
• PubChem CID: 134019
• ATC码: L01DB11
• CHEMBL: 167731
• Chemspider ID: 118174
• KEGG ID: D05522
• 维基百科标题: Pixantrone

理论计算性质

• 质子受体: 7
• 质子供体: 4
• LogD (pH = 5.5): -5.5505505
• LogD (pH = 7.4): -3.2421615
• Log P: 0.35262227
• 摩尔折射率: 95.2813 cm^3
• 极化性: 35.108128 Å^3
• 极化表面积: 123.13 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Blue solid

药理学性质

• 给药途径: Intravenous
• 排泄: Fecal (main route of excretion) and renal (4–9%)
• 半衰期: 9.5–17.5 hours

详细说明

Toronto Research Chemicals - P552500

Pixantrone is an antineoplastic drug belonging to group of antitumor antibiotics. Pixantrone is an anlogue of Mitoxantrone (M373425) and is just as potent in the treatment of multiple sclerosis with fewer toxic effects on cardiac tissue. Studies suggest t

参考文献

• Cavalletti, E. et al.: Invest. New Drugs, 25, 187 (2007)
• Gonsette, R.E. et al.: J. Neurol. Sci., 223, 81 (2007)
• Colombo, R. et al.: Electrophoresis, 30, 1418 (2007)