6-(2-aminoethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one trifluoroacetic acid hydrate

• ChemBase编号: 154808
• 分子式: C19H23F3N2O5
• 平均质量: 416.3915296
• 单一同位素质量: 416.15590651
• SMILES: c1c2c3c(c4c1c(cc(=O)o4)CCN)CCCN3CCC2.C(=O)(C(F)(F)F)O.O
• Canonical SMILES: OC(=O)C(F)(F)F.NCCc1cc(=O)oc2c1cc1CCCN3c1c2CCC3.O
• InChI: InChI=1S/C17H20N2O2.C2HF3O2.H2O/c18-6-5-11-10-15(20)21-17-13-4-2-8-19-7-1-3-12(16(13)19)9-14(11)17;3-2(4,5)1(6)7;/h9-10H,1-8,18H2;(H,6,7);1H2
• InChIKey: RRBOSSKRCWVUPA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-(2-aminoethyl)-3-oxa-13-azatetracyclo[7.7.1.0^2,^7.0^1^3,^1^7]heptadeca-1,5,7,9(17)-tetraen-4-one trifluoroacetic acid hydrate
• IUPAC传统名: 6-(2-aminoethyl)-3-oxa-13-azatetracyclo[7.7.1.0^2,^7.0^1^3,^1^7]heptadeca-1,5,7,9(17)-tetraen-4-one trifluoroacetic acid hydrate
• 别名: 9-(2-aminoethyl)-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one trifluoroacetate salt hydrate; 8-(2-Amino-ethyl)-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one trifluoroacetate salt hydrate; FFN511 trifluoroacetate salt hydrate

登记号

• CAS号: 1004548-96-2(freebase)
• MDL号: MFCD18632543
• PubChem SID: 162248946
• PubChem CID: 71311994

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.95573413
• LogD (pH = 7.4): -0.25385702
• Log P: 2.0607207
• 摩尔折射率: 84.2676 cm^3
• 极化性: 31.479881 Å^3
• 极化表面积: 55.56 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: DMSO: ≥20 mg/mL
• 外观: yellow powder

安全信息

• 保存条件: desiccated
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C17H20N2O2 · F3CCO2H · xH2O

详细说明

Sigma Aldrich - F9932

Biochem/physiol Actions
FFN511 is a fluorescent substrate for the synaptic vesicle monoamine transporters. FFN511 is used as an optical tracer of dopamine, a fluorescent false neurotransmitter (FFN) to visualize dopamine release from individual presynaptic terminals using time-lapse microscopsy fluorescence. The probe is sufficiently fluorescent so as to provide resolution of individual dopamine terminals at concentrations that do not interfere with normal catecholamine accumulation and transmission. FFN511 is compatible with GFPbased tags, the FM1-43 endocytic marker (Synapto Green), and other optical probes.