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Flibanserin-d4-1

CAT: 0804-HY-A0095S1-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-A0095S1-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Flibanserin-d4-1 is deuterium labeled Flibanserin. Flibanserin (BIMT-17) is a full agonist of the serotonin 5-HT1A receptor (Ki=1 nM) and an antagonist of 5-HT2A (49 nM) . Flibanserin binds to dopamine D4 receptors (4-24 nM), and has negligible affinity for a variety of other neurotransmitter receptors and ion channels. Flibanserin is efficacious in treating hypoactive sexual desire disorder (HSDD) [1][2].
CAS Number
2122830-91-3
Product Name Alternative
BIMT-17-d4-1; BIMT-17BS-d4-1
UNSPSC
12352005
Target
5-HT Receptor; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
GPCR/G Protein; Neuronal Signaling; Others
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Purity
99.28
Solubility
10 mM in DMSO|DMSO : 50mg/mL (ultrasonic)
Smiles
FC(F)(F)C1=CC=CC(N(CC2)CCN2C([2H])([2H])C([2H])([2H])N3C4=CC=CC=C4NC3=O)=C1
Molecular Formula
C20H17D4F3N4O
Molecular Weight
394.43
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.|[2]Gelman F, et al. Flibanserin for hypoactive sexual desire disorder: place in therapy. Ther Adv Chronic Dis. 2017 Jan;8 (1) :16-25.|[3]Invernizzi RW, et al. Flibanserin, a potential antidepressant drug, lowers 5-HT and raises dopamine and noradrenaline in the rat prefrontal cortex dialysate: role of 5-HT (1A) receptors. Br J Pharmacol. 2003 Aug;139 (7) :1281-8.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported
Isoform
5-HT1 Receptor;5-HT2 Receptor

Chemical Information

Flibanserin-d4-1
CAS Number2122830-91-3
PubChem CID162641877
IUPAC Name3-[1,1,2,2-tetradeuterio-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
Molecular FormulaC20H21F3N4O
Molecular Weight394.4
XLogP3.3
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity550
SMILES
[2H]C([2H])(C([2H])([2H])N1C2=CC=CC=C2NC1=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C20H21F3N4O/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28/h1-7,14H,8-13H2,(H,24,28)/i10D2,13D2
InChIKey
PPRRDFIXUUSXRA-DOWAQSPRSA-N
Chemical Structure
2D Structure
2D structure of Flibanserin-d4-1
CAS: 2122830-91-3
CID: 162641877
Formula: C20H21F3N4O
MW: 394.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.4
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass394.19185278
Monoisotopic Mass394.19185278
Topological Polar Surface Area38.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity550
Isotope Atom Count4
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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