1-[(1,2-15N2)hydrazin-1-yl](2,3-15N2)phthalazine hydrochloride

• ChemBase编号: 170069
• 分子式: C8H9ClN4
• 平均质量: 200.61049559
• 单一同位素质量: 200.03971356
• SMILES: c1cccc2c1c([15n][15n]c2)[15NH][15NH2].Cl
• Canonical SMILES: [15NH2][15NH]c1[15n][15n]cc2c1cccc2.Cl
• InChI: InChI=1S/C8H8N4.ClH/c9-11-8-7-4-2-1-3-6(7)5-10-12-8;/h1-5H,9H2,(H,11,12);1H/i9+1,10+1,11+1,12+1
• InChIKey: ZUXNZUWOTSUBMN-AKMRHMBASA-N

名称和登记号

名称

• IUPAC标准名: 1-[(1,2-^1^5N₂)hydrazin-1-yl](2,3-^1^5N₂)phthalazine hydrochloride
• IUPAC传统名: 1-[(1,2-^1^5N₂)hydrazin-1-yl](2,3-^1^5N₂)phthalazine hydrochloride
• 别名: 1-Hydrazinylphthalazine-5N4 Hydrochloride; 1(2H)-Phthalazinone Hydrazone-5N4 Hydrochloride; 1-Phthalazinylhydrazine-5N4 Hydrochloride; Apresoline-5N4 Hydrochloride; Apulon-5N4; Hydralazine-5N4 Chloride; Hydralazine-5N4 Monohydrochloride; Lopres-5N4; Hydralazine-15N4 Hydrochloride

登记号

• PubChem SID: 164225979
• PubChem CID: 71748793

理论计算性质

• Acid pKa: 17.691772
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -0.19961534
• LogD (pH = 7.4): 0.7096126
• Log P: 0.7513803
• 摩尔折射率: 50.2348 cm^3
• 极化性: 18.632671 Å^3
• 极化表面积: 63.83 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - H716532

Labelled Hydralazine (H716531). It is a non-nucleoside analog that inhibits DNA methylation and reactivates the expression of tumor suppressor genes. Non-selective MAO-A/B inhibitor; semicarbazide-sensitive amine oxidase inhibitor. Antihypertensive.

参考文献

• Siedlecki, P., et al.: J. Med. Chem., 49, 678 (2006)
• Link, P., et al.: Cancer Res., 68, 9358 (2006)
• Singh, N., et al.: ChemMedChem., 4, 792 (2006)