8λ3-iodatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-8-ylium chloride

• ChemBase编号: 105648
• 分子式: C12H8ClI
• 平均质量: 314.54939
• 单一同位素质量: 313.93592594
• SMILES: [Cl-].[I+]1c2ccccc2c2c1cccc2
• Canonical SMILES: c1ccc2c(c1)[I+]c1c2cccc1.[Cl-]
• InChI: InChI=1S/C12H8I.ClH/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;/h1-8H;1H/q+1;/p-1
• InChIKey: FCFZKAVCDNTYID-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: 8λ^3-iodatricyclo[7.4.0.0^2,^7]trideca-1(13),2,4,6,9,11-hexaen-8-ylium chloride; 8$l^{3}-iodatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-8-ylium chloride
• IUPAC传统名: 8λ^3-iodatricyclo[7.4.0.0^2,^7]trideca-1(13),2,4,6,9,11-hexaen-8-ylium chloride; 8$l^{3}-iodatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-8-ylium chloride
• 别名: DPI; Dibenziodolium chloride; Diphenyleneiodonium chloride; DIPHENYLENEIODONIUM CHLORIDE

登记号

• CAS号: 4673-26-1
• MDL号: MFCD00214165
• PubChem SID: 24278032; 162092156
• PubChem CID: 2733504

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.237385
• LogD (pH = 7.4): 4.237385
• Log P: 4.237385
• 摩尔折射率: 63.973 cm^3
• 极化性: 28.731281 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: -20°C
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

药理学性质

• 相关基因信息: human ... NOS1(4842), NOS2(4843), NOS2B(201288), NOS2C(645740), NOS3(4846)mouse ... Pik3r1(18708)

产品相关信息

• 纯度: ≥98%; ≥98%
• 产品质量级别: PREMIUM

详细说明

MP Biomedicals - 02193650

Purity: >98%
A powerful inhibtor of important enzymes including NADH reductase, oxidase and endothelial nitric oxide synthase.

Sigma Aldrich - D2926

Frequently Asked Questions
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Biochem/physiol Actions
A potent and reversible inhibitor of nitric oxide synthetase from macrophages and endothelial cells. Also inhibits other flavoenzymes such as neutrophil NADPH oxidase.

参考文献

• Dodd-O, J.M., et al., Brit. Jour. of Pharmacol. , 120(5) : 857-864 (1997).