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Tebideutorexant

CAT: 0804-HY-147403S-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-147403S-02Size:5 mg
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Description
Tebideutorexant (JNJ-61393215) is a potent orexin receptor antagonist. Tebideutorexant can be used for insomnia research[1].
CAS Number
1637681-55-0
Product Name Alternative
JNJ-61393215
UNSPSC
12352005
Target
Isotope-Labeled Compounds; Orexin Receptor (OX Receptor)
Related Pathways
GPCR/G Protein; Neuronal Signaling; Others
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Solubility
10 mM in DMSO
Smiles
O=C(C1=C(C2=NC=CC=N2)C(F)=CC=C1)N3[C@@H]4[C@@H](C[C@H](C3([2H])[2H])C4)OC5=CC=C(C=N5)C(F)(F)F
Molecular Formula
C23H16D2F4N4O2
Molecular Weight
460.42
References & Citations
[1]WHO Drug Information. International Nonproprietary Names for Pharmaceutical
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
Phase 2

Chemical Information

Jnj-61393215

Tebideutorexant is a small molecule drug. The usage of the INN stem '-orexant' in the name indicates that Tebideutorexant is a orexin receptor antagonist. Tebideutorexant has a monoisotopic molecular weight of 460.15 Da.

CAS Number1637681-55-0
PubChem CID139030979
IUPAC Name[(1S,4R,6R)-3,3-dideuterio-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone
Molecular FormulaC23H18F4N4O2
Molecular Weight460.4
XLogP3.9
Topological Polar Surface Area68.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity704
SMILES
[2H]C1([C@@H]2C[C@H](N1C(=O)C3=C(C(=CC=C3)F)C4=NC=CC=N4)[C@@H](C2)OC5=NC=C(C=C5)C(F)(F)F)[2H]
InChI
InChI=1S/C23H18F4N4O2/c24-16-4-1-3-15(20(16)21-28-7-2-8-29-21)22(32)31-12-13-9-17(31)18(10-13)33-19-6-5-14(11-30-19)23(25,26)27/h1-8,11,13,17-18H,9-10,12H2/t13-,17+,18-/m1/s1/i12D2
InChIKey
HUKWIAXQBOHZIX-USKNZQBOSA-N
Chemical Structure
2D Structure
2D structure of Jnj-61393215
CAS: 1637681-55-0
CID: 139030979
Formula: C23H18F4N4O2
MW: 460.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.4
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass460.14914197
Monoisotopic Mass460.14914197
Topological Polar Surface Area68.2 Ų
Heavy Atom Count33
Formal Charge0
Complexity704
Isotope Atom Count2
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T70332-01Tebideutorexant

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