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RTIOXA-43

CAT: 0013-GTR19234682-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234682-01Size:10 mg
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Description
RTIOXA-43 is a dual orexin receptor (OX1R/OX2R) agonist used in research to promote wakefulness and reduce sleep attacks. It is a valuable tool for in vitro and in vivo studies investigating narcolepsy, sleep/wake neurobiology, and orexin signaling pathways.
CAS Number
2832067-72-6
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
99.17% (May vary between batches)
Solubility
DMSO:80 mg/mL (120.52 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (4.97 mM)
Smiles
COc1ccc (cc1S (=O) (=O) Nc1cccc (NCCNC (=O) c2cccc (C) c2) c1) -c1cccc (c1) C (=O) N (C) Cc1ccncc1
Molecular Formula
C37H37N5O5S
Molecular Weight
663.79
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Rtioxa-43
CAS Number2832067-72-6
PubChem CID166625259
IUPAC NameN-[2-[3-[[2-methoxy-5-[3-[methyl(pyridin-4-ylmethyl)carbamoyl]phenyl]phenyl]sulfonylamino]anilino]ethyl]-3-methylbenzamide
Molecular FormulaC37H37N5O5S
Molecular Weight663.8
XLogP5.2
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count48
Formal Charge0
Complexity1130
SMILES
CC1=CC(=CC=C1)C(=O)NCCNC2=CC(=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)CC5=CC=NC=C5)OC
InChI
InChI=1S/C37H37N5O5S/c1-26-7-4-9-30(21-26)36(43)40-20-19-39-32-11-6-12-33(24-32)41-48(45,46)35-23-29(13-14-34(35)47-3)28-8-5-10-31(22-28)37(44)42(2)25-27-15-17-38-18-16-27/h4-18,21-24,39,41H,19-20,25H2,1-3H3,(H,40,43)
InChIKey
WIANBLHLJZGLLG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rtioxa-43
CAS: 2832067-72-6
CID: 166625259
Formula: C37H37N5O5S
MW: 663.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight663.8
XLogP35.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass663.25154047
Monoisotopic Mass663.25154047
Topological Polar Surface Area138 Ų
Heavy Atom Count48
Formal Charge0
Complexity1130
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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