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FLA-63

CAT: 0013-GTR19210450-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210450-01Size:25 mg
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Description
FLA-63 is a selective inhibitor of dopamine-beta-hydroxylase (DBH), blocking the final enzymatic step in noradrenaline synthesis. This compound is utilized in neuroscience research to study adrenergic signaling and has been applied in both in vitro assays and in vivo models to investigate catecholamine function.
CAS Number
26087-98-9
Field of Research
Metabolism Research
Smiles
C (SSC (=S) N1CCN (C) CCC1) (=S) N2CCN (C) CCC2
Molecular Formula
C14H26N4S4
Molecular Weight
378.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1H-1,4-Diazepine, 1,1'-(dithiodicarbonothioyl)bis(hexahydro-4-methyl-
CAS Number26087-98-9
PubChem CID33295
IUPAC Name(4-methyl-1,4-diazepane-1-carbothioyl)sulfanyl 4-methyl-1,4-diazepane-1-carbodithioate
Molecular FormulaC14H26N4S4
Molecular Weight378.7
XLogP2
Topological Polar Surface Area128
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity357
SMILES
CN1CCCN(CC1)C(=S)SSC(=S)N2CCCN(CC2)C
InChI
InChI=1S/C14H26N4S4/c1-15-5-3-7-17(11-9-15)13(19)21-22-14(20)18-8-4-6-16(2)10-12-18/h3-12H2,1-2H3
InChIKey
NXJOFTRBTBDSHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-1,4-Diazepine, 1,1'-(dithiodicarbonothioyl)bis(hexahydro-4-methyl-
CAS: 26087-98-9
CID: 33295
Formula: C14H26N4S4
MW: 378.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.7
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass378.10403154
Monoisotopic Mass378.10403154
Topological Polar Surface Area128 Ų
Heavy Atom Count22
Formal Charge0
Complexity357
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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