(ethenyloxy)[(Z)-(pyrrolidin-1-yl)-oxo-$l^{5}-azanylidene]amine

• ChemBase编号: 153689
• 分子式: C6H11N3O2
• 平均质量: 157.17044
• 单一同位素质量: 157.08512661
• SMILES: C=CO/N=[N+](/N1CCCC1)\[O-]
• Canonical SMILES: C=CO/N=[N+](/N1CCCC1)\[O-]
• InChI: InChI=1S/C6H11N3O2/c1-2-11-7-9(10)8-5-3-4-6-8/h2H,1,3-6H2
• InChIKey: RJWXCQACZTVGIN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (ethenyloxy)[(Z)-(pyrrolidin-1-yl)-oxo-$l^{5}-azanylidene]amine; (ethenyloxy)[(pyrrolidin-1-yl)-oxo-$l^{5}-azanylidene]amine
• IUPAC传统名: (ethenyloxy)[(Z)-pyrrolidin-1-yl-oxo-$l^{5}-azanylidene]amine; (ethenyloxy)(pyrrolidin-1-yl-oxo-$l^{5}-azanylidene)amine
• 别名: 1-(Ethenyloxy)-3-(2-pyrrolidinyl)-3-(5-pyrrolidinyl)-1-triazenamine 2-oxide; V-PYRRO/NO; O2-Vinyl 1-(Pyrrolidin-1-yl)diazen-1-ium-1,2-diolate; 1-[(Ethenyloxy)-NNO-azoxy]-pyrrolidine; O2-Vinyl-1-(pyrrolidin-1-yl)diazen-1-uim-1,2-diolate; V-Pyrro/NO

登记号

• CAS号: 179344-98-0
• MDL号: MFCD06407925
• PubChem SID: 24724664; 162247828
• PubChem CID: 9605288

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.71438766
• LogD (pH = 7.4): -0.67107475
• Log P: -0.6699144
• 摩尔折射率: 42.349 cm^3
• 极化性: 15.45258 Å^3
• 极化表面积: 53.58 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Ethanol
• 外观: Pale Yellow Oil
• 闪点: 14 °C; 57.2 °F

安全信息

• 保存注意事项: Store in Freezer (> 1 year at -20°C)
• 欧盟危险性物质标志: 易燃性(Flammable) (F)
• 联合国危险货物编号: 1170
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 11
• 安全公开号: 16
• GHS危险品标识: GHS02
• GHS警示词: Danger
• GHS危险声明: H225
• GHS警示性声明: P210
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1170 3/PG 2
• 保存温度: -20°C

产品相关信息

• Empirical Formula (Hill Notation): C6H11N3O2

详细说明

Sigma Aldrich - V9763

Biochem/physiol Actions
Liver-selective nitric oxide donor that blocks TNF-α-induced apoptosis and toxicity

Toronto Research Chemicals - V500000

V-PYRRO/NO is a metabolically activated nitric oxide (NO) donor drug that can be used to selectively target NO delivery to the liver. The compound is metabolized by the liver, and spontaneously decomposes with a half-life of 3 seconds, liberating NO. In

参考文献

• Saavedra, J., et al.: J. Med. Chem., 40, 1947 (1997)
• Liu, J., et al.: J. Pharmacol. Exp. Ther., 310, 18 (1997)
• Lluch, P., et al.: J. Hepatol., 41, 55 (1997)
• Liu, J., et al.: Toxicology, 208, 289 (1997)