4-{5-[4-carbamimidoyl(2H4)phenyl]furan-2-yl}(2H4)benzene-1-carboximidamide

• ChemBase编号: 169505
• 分子式: C18H16N4O
• 平均质量: 304.34584
• 单一同位素质量: 304.13241115
• SMILES: c1cc(oc1c1ccc(cc1)C(=N)N)c1ccc(cc1)C(=N)N
• Canonical SMILES: NC(=N)c1ccc(cc1)c1ccc(o1)c1ccc(cc1)C(=N)N
• InChI: InChI=1S/C18H16N4O/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)
• InChIKey: ZJHZBDRZEZEDGB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-{5-[4-carbamimidoyl(^2H₄)phenyl]furan-2-yl}(^2H₄)benzene-1-carboximidamide
• IUPAC传统名: 4-{5-[4-carbamimidoyl(^2H₄)phenyl]furan-2-yl}(^2H₄)benzenecarboximidamide
• 别名: 4,4'-(2,5-Furandiyl)bisbenzenecarboximidamide; 2,5-Bis(4-amidinophenyl)furan-d8; 2,5-Bis(4-guanylphenyl)furan-d8; NSC 305831-d8; Furamidine-d8

登记号

• PubChem SID: 162263637
• PubChem CID: 10495318

理论计算性质

• 质子受体: 4
• 质子供体: 4
• LogD (pH = 5.5): -2.7414923
• LogD (pH = 7.4): -2.699863
• Log P: 2.0888813
• 摩尔折射率: 111.9438 cm^3
• 极化性: 36.598476 Å^3
• 极化表面积: 112.88 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - F863602

Labelled analogue of Furamidine, a diphenylfuran compound belonging to an important class of antimicrobial and antiparasitic agents. Furamidine and its analogues also display antitumor activities and showed antiproliferative activities against various tum

参考文献

• Lansiaux, A. et al.: Cancer Res., 62, 7219 (2002)
• Steck E.A. et al.: Exp. Parasitol., 52, 404 (2002)
• Balzarini, J. et al.: Incest. New Drugs, 1, 103 (2002)