4-amino-2',7'-difluoro-3',6'-dihydroxy-5-(methylamino)-3H-spiro[2-benzofuran-1,9'-xanthene]-3-one

• ChemBase编号: 154567
• 分子式: C21H14F2N2O5
• 平均质量: 412.3430664
• 单一同位素质量: 412.087078
• SMILES: CNc1ccc2c(c1N)C(=O)OC12c2cc(c(cc2Oc2c1cc(c(c2)O)F)O)F
• Canonical SMILES: CNc1ccc2c(c1N)C(=O)OC12c2cc(F)c(cc2Oc2c1cc(F)c(c2)O)O
• InChI: InChI=1S/C21H14F2N2O5/c1-25-13-3-2-8-18(19(13)24)20(28)30-21(8)9-4-11(22)14(26)6-16(9)29-17-7-15(27)12(23)5-10(17)21/h2-7,25-27H,24H2,1H3
• InChIKey: DIJCILWNOLHJCG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-amino-2',7'-difluoro-3',6'-dihydroxy-5-(methylamino)-3H-spiro[2-benzofuran-1,9'-xanthene]-3-one
• IUPAC传统名: 4-amino-2',7'-difluoro-3',6'-dihydroxy-5-(methylamino)spiro[2-benzofuran-1,9'-xanthene]-3-one
• 别名: 4-Amino-5-methylamino-2′,7′-difluorescein; Diaminofluorescein-FM; DAF-FM

登记号

• CAS号: 254109-20-1
• PubChem SID: 162248705
• PubChem CID: 10431792

理论计算性质

• Acid pKa: 7.608721
• 质子受体: 5
• 质子供体: 4
• LogD (pH = 5.5): 3.4469314
• LogD (pH = 7.4): 3.2276785
• Log P: 3.4595988
• 摩尔折射率: 106.5471 cm^3
• 极化性: 38.02147 Å^3
• 极化表面积: 114.04 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO: >1 mg/mL
• 外观: white to beige powder

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302
• 保存温度: -20°C

产品相关信息

• 纯度: ≥98% (HPLC)
• 运输包装: wet ice
• Empirical Formula (Hill Notation): C21H14F2N2O5

详细说明

Sigma Aldrich - D1821

Caution
hygroscopic
Biochem/physiol Actions
DAF-FM is a highly sensitive, photo-stable fluorescent probe for the detection of nitric oxide (NO). DAF-2 is the original compound and is widely used, but DAF-FM is more sensitive to nitric oxide (NO) compared with DAF-2. DAF-FM is more photo-stable and less pH sensitive than DAF-2. DAF-FM is not quite as cell-permeable as the diacetate derivative, DAF-FM, but it does not need to be activated by cytosolic enzymes.