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 ID: 154808
• Molecular Formular: C19H23F3N2O5
• Molecular Mass: 416.3915296
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 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 Traditional name: 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
• Synonyms: 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

Database IDs

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

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.95573413
• LogD (pH = 7.4): -0.25385702
• Log P: 2.0607207
• Molar Refractivity: 84.2676 cm^3
• Polarizability: 31.479881 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO: ≥20 mg/mL
• Apperance: yellow powder

Safety Information

• Storage Condition: desiccated
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Storage Temperature: 2-8°C

Product Information

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

DETAILS

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.